From f03c3898b95663c3b2b868b5de122f682773c51b Mon Sep 17 00:00:00 2001
From: Eshikamahajan
Date: Thu, 2 Jan 2020 13:05:38 +0530
Subject: Updated component selector with multiple databases

---
 .gitignore                                         |     4 +
 Simulator/Databases/Databases.py                   |   446 +
 .../Databases/__pycache__/Database.cpython-35.pyc  |   Bin 0 -> 10263 bytes
 .../Databases/__pycache__/Database.cpython-37.pyc  |   Bin 0 -> 9005 bytes
 .../Databases/__pycache__/Databases.cpython-35.pyc |   Bin 0 -> 10281 bytes
 Simulator/Databases/chemsep1.xml                   | 94686 +++++++++++++++++++
 Simulator/database.mo                              |     6 +
 chemsep1.xml                                       | 94686 +++++++++++++++++++
 component_selector.py                              |   176 +-
 compounds.txt                                      |   431 -
 compoundsDatabase.csv                              |   432 -
 11 files changed, 189971 insertions(+), 896 deletions(-)
 create mode 100644 Simulator/Databases/Databases.py
 create mode 100644 Simulator/Databases/__pycache__/Database.cpython-35.pyc
 create mode 100644 Simulator/Databases/__pycache__/Database.cpython-37.pyc
 create mode 100644 Simulator/Databases/__pycache__/Databases.cpython-35.pyc
 create mode 100644 Simulator/Databases/chemsep1.xml
 create mode 100644 Simulator/database.mo
 create mode 100644 chemsep1.xml
 delete mode 100644 compounds.txt
 delete mode 100644 compoundsDatabase.csv

diff --git a/.gitignore b/.gitignore
index 06e094b..3ee5ad7 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,6 +1,10 @@
 OMChem/__pycache__/*
 __pycache__/*
+Simulator/Databases/__pycache__/*
 Simulator/Flowsheet*
+Simulator/Graph*
+Simulator/database.mo
+Simulator/PlotGraph.mos
 Simulator/simulateEQN.mos
 .vscode/settings.json
 __pycache__/*
diff --git a/Simulator/Databases/Databases.py b/Simulator/Databases/Databases.py
new file mode 100644
index 0000000..d970dbf
--- /dev/null
+++ b/Simulator/Databases/Databases.py
@@ -0,0 +1,446 @@
+# -*- coding: utf-8 -*-
+"""
+Created on Wed Dec 25 17:41:56 2019
+
+@author: Eshika Mahajan
+"""
+
+import xml.dom.minidom
+DOMTree = xml.dom.minidom.parse("chemsep1.xml")
+compounds = DOMTree.documentElement
+compound = compounds.getElementsByTagName("compound")
+       
+class ChemsepDatabase():
+    
+    def __init__(self):
+        self.comp_name_list=list()
+        self.name = 'chemsep'
+        for comp in compound:
+            self.compName=comp.getElementsByTagName('CompoundID')[0].getAttribute('value')
+            self.comp_name_list.append(self.compName+'(' + self.name + ')')
+            
+        self.comp_prop_list=list()
+           
+            
+    def get_comp_name_list(self):
+        return self.comp_name_list
+    
+    
+    
+    #attrib:
+    #CAS fro CAS Number
+    #CompoundID for Name
+    #Smiles for Molecular Formula
+    #MolecularWeight for Molecular Weight
+
+
+#GETTING 'ATTRIBUTE''S VALUE OF THE COMPOUND 'COMPS'
+#COMP IS AN ITERATING VALUE IN THE XML TAG COMPOUND    
+    
+    
+    def get_value(self,comps,attrib):
+        self.comps=comps
+        self.x=''
+        for comp in compound:
+            compName = comp.getElementsByTagName("CompoundID")[0].getAttribute("value")
+            if compName==comps:
+                try:
+                    self.x=comp.getElementsByTagName(attrib)[0].getAttribute("value")
+                except IndexError:
+                    self.x = "-"
+                
+        return (self.x)
+        
+#CREATING comp_prop_list LIST OF THE COMPOUND SELECTED         
+            
+    def get_comp_prop(self,comps):
+        #i=1
+        self.comps = comps
+        for comp in compound:
+            compName = comp.getElementsByTagName("CompoundID")[0].getAttribute("value")
+            if compName==self.comps:
+                
+                
+                CompName = compName.replace(" ","")
+                CompName = CompName.replace("-","")
+                CompName = CompName.replace(",","")
+                CompName = CompName.replace("1","One")
+                CompName = CompName.replace("2","Two")
+                CompName = CompName.replace("3","Three")
+                CompName = CompName.replace("4","Four")
+                CompName = CompName.replace("5","Five")
+                CAS = comp.getElementsByTagName("CAS")[0].getAttribute("value")
+                CriticalTemp = comp.getElementsByTagName("CriticalTemperature")[0].getAttribute("value")
+                CriticalPres = comp.getElementsByTagName("CriticalPressure")[0].getAttribute("value")
+                CriticalVol = comp.getElementsByTagName("CriticalVolume")[0].getAttribute("value")
+                CriticalComp = comp.getElementsByTagName("CriticalCompressibility")[0].getAttribute("value")
+            
+                try:
+                    NormalBoilPoint = comp.getElementsByTagName("NormalBoilingPointTemperature")[0].getAttribute("value")
+                except IndexError:
+                    NormalBoilPoint = "0"
+                try:
+                    NormalMeltingPoint = comp.getElementsByTagName("NormalMeltingPointTemperature")[0].getAttribute("value")
+                except IndexError:
+                    NormalMeltingPoint = "0"
+                try:
+                    TripPntTemp = comp.getElementsByTagName("TriplePointTemperature")[0].getAttribute("value")
+                except IndexError:
+                    TripPntTemp = "0"
+                try:
+                    TripPntPres = comp.getElementsByTagName("TriplePointPressure")[0].getAttribute("value")
+                except IndexError:
+                    TripPntPres = "0"
+                MolWt =  comp.getElementsByTagName("MolecularWeight")[0].getAttribute("value")
+                try:
+                    LiqVolAtBoilPnt = comp.getElementsByTagName("LiquidVolumeAtNormalBoilingPoint")[0].getAttribute("value")
+                except IndexError:
+                    LiqVolAtBoilPnt = "0"
+                try:
+                    AcenFactor = comp.getElementsByTagName("AcentricityFactor")[0].getAttribute("value")
+                except IndexError:
+                    AcenFactor = "0"
+                try:
+                    SolParam = comp.getElementsByTagName("SolubilityParameter")[0].getAttribute("value")
+                except IndexError:
+                    SolParam = "0"
+                try:
+                    DipoleMoment = comp.getElementsByTagName("DipoleMoment")[0].getAttribute("value")
+                except IndexError:
+                    DipoleMoment = "0"
+                try:
+                    IGHF = comp.getElementsByTagName("HeatOfFormation")[0].getAttribute("value")
+                except IndexError:
+                    IGHF = "0"
+                try:
+                    GEF = comp.getElementsByTagName("GibbsEnergyOfFormation")[0].getAttribute("value")
+                except IndexError:
+                    GEF = "0"
+                try:
+                    AbsEntropy = comp.getElementsByTagName("AbsEntropy")[0].getAttribute("value")
+                except IndexError:
+                    AbsEntropy = "0"
+                try:
+                    HeatFusionMeltPnt = comp.getElementsByTagName("HeatOfFusionAtMeltingPoint")[0].getAttribute("value")
+                except IndexError:
+                    HeatFusionMeltPnt = "0"
+                try:
+                    HOC = comp.getElementsByTagName("HeatOfCombustion")[0].getAttribute("value")
+                except IndexError:
+                    HOC = "0"
+                try:
+                    UniquacR = comp.getElementsByTagName("UniquacR")[0].getAttribute("value")
+                except IndexError:
+                    UniquacR = "0"
+                try:
+                    UniquacQ = comp.getElementsByTagName("UniquacQ")[0].getAttribute("value")
+                except IndexError:
+                    UniquacQ = "0"
+                try:
+                    RacketParam = comp.getElementsByTagName("RacketParameter")[0].getAttribute("value")
+                except IndexError:
+                    RacketParam = "0"
+            
+            
+                try:
+                    LiqDen = comp.getElementsByTagName("LiquidDensity")[0]
+                    LiqDenEqn = LiqDen.getElementsByTagName("eqno")[0].getAttribute("value")
+                    A=LiqDen.getElementsByTagName("A")[0].getAttribute("value")
+                    B=LiqDen.getElementsByTagName("B")[0].getAttribute("value")
+                    C=LiqDen.getElementsByTagName("C")[0].getAttribute("value")
+                    D=LiqDen.getElementsByTagName("D")[0].getAttribute("value")
+                    try:
+                        E=LiqDen.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        E = "0"
+                except IndexError:
+                    LiqDenEqn = "0"
+                    A = "0"
+                    B = "0"
+                    C = "0"
+                    D = "0"
+                    E = "0"
+                try:
+                    VapPres = comp.getElementsByTagName("VaporPressure")[0]
+                    VapPresEqn = VapPres.getElementsByTagName("eqno")[0].getAttribute("value")
+                    VA=VapPres.getElementsByTagName("A")[0].getAttribute("value")
+                    VB=VapPres.getElementsByTagName("B")[0].getAttribute("value")
+                    VC=VapPres.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                          VD=VapPres.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                          VD = "0"
+                    try:
+                          VE=VapPres.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                          VE = "0"
+                except IndexError:
+                    VapPresEqn = "0"
+                    VA = "0"
+                    VB = "0"
+                    VC = "0"
+                    VD = "0"
+                    VE = "0"
+                try:
+                    LiqCp = comp.getElementsByTagName("LiquidHeatCapacityCp")[0]
+                    LiqCpEqn = LiqCp.getElementsByTagName("eqno")[0].getAttribute("value")
+                    LCpA=LiqCp.getElementsByTagName("A")[0].getAttribute("value")
+                    LCpB=LiqCp.getElementsByTagName("B")[0].getAttribute("value")
+                    LCpC=LiqCp.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                          LCpD=LiqCp.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                          LCpD = "0"
+                    try:
+                          LCpE=LiqCp.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                          LCpE = "0"
+                except IndexError:
+                    LiqCpEqn = "0"
+                    LCpA = "0"
+                    LCpB = "0"
+                    LCpC = "0"
+                    LCpD = "0"
+                    LCpE = "0"
+                try:
+                    HOV = comp.getElementsByTagName("HeatOfVaporization")[0]
+                    HOVEqn = HOV.getElementsByTagName("eqno")[0].getAttribute("value")
+                    HOVA=HOV.getElementsByTagName("A")[0].getAttribute("value")
+                    HOVB=HOV.getElementsByTagName("B")[0].getAttribute("value")
+                    HOVC=HOV.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        HOVD=HOV.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        HOVD = "0"
+                    try:
+                        HOVE=HOV.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        HOVE = "0"
+                except IndexError:
+                    HOVEqn = "0"
+                    HOVA = "0"
+                    HOVB = "0"
+                    HOVC = "0"
+                    HOVD = "0"
+                    HOVE = "0"
+                if (float(NormalBoilPoint) >  298.15 ):
+                    HA = float(HOVA)
+                    HB = float(HOVB)
+                    HC = float(HOVC)
+                    HD = float(HOVD)
+                    HE = float(HOVE)
+                    Tr = 298.15/float(CriticalTemp)
+                    SHOV = HA*(pow((1-Tr),(HB + HC*Tr + HD*pow(Tr,2) + HE*pow(Tr,3))))
+                    AbsEnthalpy = float(IGHF) -  SHOV
+                else:
+                    AbsEnthalpy = float(IGHF)
+                    SH = str(AbsEnthalpy)
+                try:
+                    VapCp = comp.getElementsByTagName("IdealGasHeatCapacityCp")[0]
+                    VapCpEqn = VapCp.getElementsByTagName("eqno")[0].getAttribute("value")
+                    VCpA=VapCp.getElementsByTagName("A")[0].getAttribute("value")
+                    VCpB=VapCp.getElementsByTagName("B")[0].getAttribute("value")
+                    VCpC=VapCp.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        VCpD=VapCp.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        VCpD = "0"
+                    try:
+                        VCpE=VapCp.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        VCpE = "0"
+                except IndexError:
+                    VapCpEqn = "0"
+                    VCpA = "0"
+                    VCpB = "0"
+                    VCpC = "0"
+                    VCpD = "0"
+                    VCpE = "0"
+            
+                try:
+                    LiqVis = comp.getElementsByTagName("LiquidViscosity")[0]
+                    LiqVisEqn = LiqVis.getElementsByTagName("eqno")[0].getAttribute("value")
+                    LiqVisA=LiqVis.getElementsByTagName("A")[0].getAttribute("value")
+                    LiqVisB=LiqVis.getElementsByTagName("B")[0].getAttribute("value")
+                    LiqVisC=LiqVis.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        LiqVisD=LiqVis.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        LiqVisD = "0"
+                    try:
+                        LiqVisE=LiqVis.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        LiqVisE = "0"
+                except IndexError:
+                    LiqVisEqn = "0"
+                    LiqVisA = "0"
+                    LiqVisB = "0"
+                    LiqVisC = "0"
+                    LiqVisD = "0"
+                    LiqVisE = "0"
+            
+                try:
+                    VapVis = comp.getElementsByTagName("VaporViscosity")[0]
+                    VapVisEqn = VapVis.getElementsByTagName("eqno")[0].getAttribute("value")
+                    VapVisA = VapVis.getElementsByTagName("A")[0].getAttribute("value")
+                    VapVisB = VapVis.getElementsByTagName("B")[0].getAttribute("value")
+                    VapVisC = VapVis.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        VapVisD = VapVis.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        VapVisD = "0"
+                    try:
+                        VapVisE = VapVis.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        VapVisE = "0"
+                except IndexError:
+                    VapVisEqn = "0"
+                    VapVisA = "0"
+                    VapVisB = "0"
+                    VapVisC = "0"
+                    VapVisD = "0"
+                    VapVisE = "0"
+            
+                try:
+                    LiqK = comp.getElementsByTagName("LiquidThermalConductivity")[0]
+                    LiqKEqn = LiqK.getElementsByTagName("eqno")[0].getAttribute("value")
+                    LiqKA = LiqK.getElementsByTagName("A")[0].getAttribute("value")
+                    LiqKB = LiqK.getElementsByTagName("B")[0].getAttribute("value")
+                    LiqKC = LiqK.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        LiqKD = LiqK.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        LiqKD = "0"
+                    try:
+                        LiqKE=LiqK.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        LiqKE = "0"
+                except IndexError:
+                    iqKEqn = "0"
+                    LiqKA = "0"
+                    LiqKB = "0"
+                    LiqKC = "0"
+                    LiqKD = "0"
+                    LiqKE = "0"
+            
+                try:
+                    VapK = comp.getElementsByTagName("VaporThermalConductivity")[0]
+                    VapKEqn = VapK.getElementsByTagName("eqno")[0].getAttribute("value")
+                    VapKA=VapK.getElementsByTagName("A")[0].getAttribute("value")
+                    VapKB=VapK.getElementsByTagName("B")[0].getAttribute("value")
+                    VapKC=VapK.getElementsByTagName("C")[0].getAttribute("value")
+                    try:
+                        VapKD=VapK.getElementsByTagName("D")[0].getAttribute("value")
+                    except IndexError:
+                        VapKD = "0"
+                    try:
+                        VapKE=VapK.getElementsByTagName("E")[0].getAttribute("value")
+                    except IndexError:
+                        VapKE = "0"
+                except IndexError:
+                    VapKEqn = "0"
+                    VapKA = "0"
+                    VapKB = "0"
+                    VapKC = "0"
+                    VapKD = "0"
+                    VapKE = "0"
+            
+                try:
+                    ChaoSeadAF = comp.getElementsByTagName("ChaoSeaderAcentricFactor")[0].getAttribute("value")
+                except IndexError:
+                    ChaoSeadAF = 0
+                try:
+                    ChaoSeadSP = comp.getElementsByTagName("ChaoSeaderSolubilityParameter")[0].getAttribute("value")
+                except IndexError:
+                    ChaoSeadSP = 0
+                try:
+                    ChaoSeadLV = comp.getElementsByTagName("ChaoSeaderLiquidVolume")[0].getAttribute("value")
+                except IndexError:
+                    ChaoSeadLV = 0
+        
+        
+        
+                #f.write('Package database')
+                self.comp_prop_list.append('model '+CompName)
+                #f.write('\n')
+                self.comp_prop_list.append(' extends Simulator.Files.Chemsep_Database.General_Properties(')
+                #f.write('\n')
+                #self.comp_prop_list.append('  SN ' + '= ' + str(i) +', ')
+                # f.write('\n')
+                self.comp_prop_list.append('name ' + '= ' + '"'+ CompName + '", ')
+                # f.write('\n')
+                self.comp_prop_list.append('CAS = "' + str(CAS) + '", ')
+                # f.write(format('    CAS = "{CAS}"'))
+                self.comp_prop_list.append('Tc ' + '= ' + CriticalTemp + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('Pc ' + '= ' + CriticalPres + ',  ')
+                # f.write('\n')
+                self.comp_prop_list.append('Vc ' + '= ' + CriticalVol + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('Cc ' + '= ' + CriticalComp + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('Tb ' + '= ' + NormalBoilPoint + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('Tm ' + '= ' + NormalMeltingPoint + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('TT ' + '= ' + TripPntTemp + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('TP ' + '= ' + TripPntPres + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('MW ' + '= ' + MolWt + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('LVB ' + '= ' + LiqVolAtBoilPnt + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('AF ' + '= ' + AcenFactor + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('SP ' + '= ' + SolParam + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('DM ' + '= ' + DipoleMoment + ', ')
+                # f.write('\n')
+               # f.write('SH ' + '= ' + SH + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('IGHF ' + '= ' + IGHF + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('GEF ' + '= ' + GEF + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('AS ' + '= ' + AbsEntropy + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('HFMP ' + '= ' + HeatFusionMeltPnt + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('HOC ' + '= ' + HOC + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('LiqDen = {'+LiqDenEqn+","+A+","+B+","+C+","+D+","+E+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('VP = {'+VapPresEqn+","+VA+","+VB+","+VC+","+VD+","+VE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('LiqCp = {'+LiqCpEqn+","+LCpA+","+LCpB+","+LCpC+","+LCpD+","+LCpE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('HOV = {'+HOVEqn+","+HOVA+","+HOVB+","+HOVC+","+HOVD+","+HOVE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('VapCp = {'+VapCpEqn+","+VCpA+","+VCpB+","+VCpC+","+VCpD+","+VCpE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('LiqVis = {'+LiqVisEqn+","+LiqVisA+","+LiqVisB+","+LiqVisC+","+LiqVisD+","+LiqVisE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('VapVis = {'+VapVisEqn+","+VapVisA+","+VapVisB+","+VapVisC+","+VapVisD+","+VapVisE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('LiqK = {'+LiqKEqn+","+LiqKA+","+LiqKB+","+LiqKC+","+LiqKD+","+LiqKE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('VapK = {'+VapKEqn+","+VapKA+","+VapKB+","+VapKC+","+VapKD+","+VapKE+'}, ')
+                # f.write('\n')
+                self.comp_prop_list.append('Racketparam = '+RacketParam +', ')
+                # f.write('\n')
+                self.comp_prop_list.append('UniquacR = '+ UniquacR + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('UniquacQ = '+ UniquacQ + ', ')
+                # f.write('\n')
+                self.comp_prop_list.append('ChaoSeadAF = ' + str(ChaoSeadAF) + ', ')
+                self.comp_prop_list.append('ChaoSeadSP = ' + str(ChaoSeadSP) + ', ')
+                self.comp_prop_list.append('ChaoSeadLV = ' + str(ChaoSeadLV) + ');\n')
+                self.comp_prop_list.append('end '+CompName+';')
+                
+                #return self.comp_prop_list
+        return self.comp_prop_list
+                
+                
+
+           
\ No newline at end of file
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diff --git a/Simulator/Databases/chemsep1.xml b/Simulator/Databases/chemsep1.xml
new file mode 100644
index 0000000..547e246
--- /dev/null
+++ b/Simulator/Databases/chemsep1.xml
@@ -0,0 +1,94686 @@
+<compounds library="ChemSep v7.30 pure component data - Copyright (c) Harry Kooijman and Ross Taylor (2017) - http://www.perlfoundation.org/artistic_license_2_0 modified  on 11/25/2017 01:11:11 AM by harry" file="c:\program files\chemsepl7v30\pcd\chemsep1.xml" create-date="05-07-2018" create-time="12:11:14" create-user="Rahul" >
+
+<compound>
+<LibraryIndex name="Index"  value="915" />
+<CompoundID name="Name"  value="Air" />
+<StructureFormula name="Structure"  value="(N2)0.781 (O2)0.209 (Ar)0.01" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="132.45" />a
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3774000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.09147" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.313" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="78.67" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="59.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="59.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5642.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.96" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0329147" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12750" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="199000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6731" />
+  <B value="0.25637" />
+  <C value="132.51" />
+  <D value="0.26788" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="14.794" />
+  <B value="-599.85" />
+  <C value="1.0009" />
+  <D value="-3.9938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7385651" />
+  <B value="0.276676" />
+  <C value="0.211253" />
+  <D value="-0.836764" />
+  <E value="0.722737" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.45" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53628" />
+  <B value="4511.1" />
+  <C value="-143.29" />
+  <D value="1.582" />
+  <E value="-0.0051332" />
+  <Tmin units="K"  value="75" />
+  <Tmax units="K"  value="124" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29562.29" />
+  <B value="-7.164949" />
+  <C value="0.0216294" />
+  <D value="-0.0000139748" />
+  <E value="2.89195E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043047" />
+  <B value="-17.122" />
+  <C value="0.11732" />
+  <D value="-0.34143" />
+  <E value="0.30384" />
+  <Tmin units="K"  value="118.15" />
+  <Tmax units="K"  value="248.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-72.336" />
+  <B value="813.48" />
+  <C value="12.687" />
+  <D value="-0.00033062" />
+  <E value="2" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="130" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001592" />
+  <B value="0.48975" />
+  <C value="123.45" />
+  <D value="-829.58" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21199" />
+  <B value="-16.311" />
+  <C value="-0.23057" />
+  <D value="-0.0076197" />
+  <E value="0.0000025018" />
+  <Tmin units="K"  value="75" />
+  <Tmax units="K"  value="125" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003511" />
+  <B value="0.76492" />
+  <C value="16.071" />
+  <D value="1084.4" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29236" />
+  <B value="-3.8558" />
+  <C value="0.012307" />
+  <D value="-0.0000048402" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.72" />
+  <B value="765.88" />
+  <C value="4.6692" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="119" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.8411" />
+  <B value="-0.020116" />
+  <C value="-0.000025724" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="130" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.09147" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.711E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="78.6" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.29056" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="19.7" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00105" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.879574" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.00787976" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0329147" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.00787976" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12749.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0329147" />
+<CAS name="CAS number"  value="132259-10-0" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="914" />
+<CompoundID name="Name"  value="Argon" />
+<StructureFormula name="Structure"  value="Ar" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="150.86" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4898000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07457" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.291" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="87.27" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="83.8039" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="83.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="68906.1" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="39.948" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.002" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14138.3" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0168" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.67E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="154732" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1184900" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.52483" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="44.333" />
+  <B value="-1.8037E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="3.803" />
+  <B value="0.286" />
+  <C value="150.86" />
+  <D value="0.2984" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="150.86" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="44.369" />
+  <B value="-1126.1" />
+  <C value="-4.5688" />
+  <D value="0.000062339" />
+  <E value="2" />
+  <Tmin units="K"  value="78.65" />
+  <Tmax units="K"  value="150.86" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7981000" />
+  <B value="0.099752" />
+  <C value="0.32009" />
+  <D value="-0.11898" />
+  <E value="0.031141" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="147.33" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46085" />
+  <B value="-1304.5" />
+  <C value="21.195" />
+  <D value="-0.015382" />
+  <E value="0.000033063" />
+  <Tmin units="K"  value="83.8" />
+  <Tmax units="K"  value="135" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037508" />
+  <B value="-15.054" />
+  <C value="-0.081999" />
+  <D value="0.018532" />
+  <E value="-0.011981" />
+  <Tmin units="K"  value="75.4" />
+  <Tmax units="K"  value="773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-99.903" />
+  <B value="1347.5" />
+  <C value="17.615" />
+  <D value="-0.00032893" />
+  <E value="2" />
+  <Tmin units="K"  value="84.1" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010023" />
+  <B value="0.5922" />
+  <C value="85.563" />
+  <D value="238.26" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.30397" />
+  <B value="-0.82999" />
+  <C value="-0.71462" />
+  <D value="-0.00039294" />
+  <E value="-0.000012209" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="150" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013095" />
+  <B value="0.81923" />
+  <C value="-122.33" />
+  <D value="13993" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0029464" />
+  <B value="165.33" />
+  <C value="-8.8347" />
+  <D value="0.058394" />
+  <E value="-0.00030536" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="147.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000513" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.673" />
+  <B value="804.37" />
+  <C value="0.74965" />
+  <Tmin units="K"  value="90.84" />
+  <Tmax units="K"  value="135" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.9431" />
+  <B value="-0.0071879" />
+  <C value="-0.000089817" />
+  <Tmin units="K"  value="84.1" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.07541" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.454841E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="115.745" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47531" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.37018" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.0092" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0285865" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1074" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.068" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011721" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.97237" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.002" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14138.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0285865" />
+<GCmethod name="PPR78" >
+  <group id="24"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="201"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-37-1" />
+<Smiles name="SMILES"  value="[Ar]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="922" />
+<CompoundID name="Name"  value="Bromine" />
+<StructureFormula name="Structure"  value="BrBr" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="584.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.03E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.135" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="265.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="265.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5853.37" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="159.808" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0514795" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.128997" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.69E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0288" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.091E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3140000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="245350" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.057E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.68333" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="25.7" />
+  <B value="1.8384E-08" />
+  <Tmin units="K"  value="79.15" />
+  <Tmax units="K"  value="88.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.0603" />
+  <B value="0.28982" />
+  <C value="584.15" />
+  <D value="0.28948" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.657" />
+  <B value="-5321.6" />
+  <C value="-6.3199" />
+  <D value="0.0000054412" />
+  <E value="2" />
+  <Tmin units="K"  value="265.15" />
+  <Tmax units="K"  value="584.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8419E+07" />
+  <B value="-0.26282" />
+  <C value="2.1808" />
+  <D value="-2.7529" />
+  <E value="1.1823" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8018.8" />
+  <B value="1284.8" />
+  <C value="-11.519" />
+  <D value="0.046329" />
+  <E value="-0.000065817" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="265.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75351" />
+  <B value="-4.87E+07" />
+  <C value="54033" />
+  <D value="102.73" />
+  <E value="0.43775" />
+  <Tmin units="K"  value="265.9" />
+  <Tmax units="K"  value="331.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="35000" />
+  <B value="-410" />
+  <C value="8.5" />
+  <D value="-0.00016" />
+  <E value="-0.00000001" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.073884" />
+  <B value="-101.75" />
+  <C value="-12.933" />
+  <D value="11359" />
+  <E value="-33103" />
+  <Tmin units="K"  value="282.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.9813" />
+  <B value="410.55" />
+  <C value="-0.30036" />
+  <D value="-0.000006936" />
+  <E value="2" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1438E-07" />
+  <B value="0.88111" />
+  <C value="59.595" />
+  <D value="-6723.3" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.69183" />
+  <B value="27.775" />
+  <C value="-0.38966" />
+  <D value="0.00057103" />
+  <E value="-8.8462E-07" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="584" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000065648" />
+  <B value="1.4785" />
+  <C value="4505.6" />
+  <D value="-870500" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="520" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014274" />
+  <B value="235.98" />
+  <C value="-4.5131" />
+  <D value="0.0059159" />
+  <E value="-0.000010567" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35550.42" />
+  <B value="3.836859" />
+  <C value="-0.0019729" />
+  <D value="3.186391E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.0128" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.108" />
+  <B value="3517.5" />
+  <C value="1.886" />
+  <Tmin units="K"  value="351.95" />
+  <Tmax units="K"  value="517.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.1152" />
+  <B value="-0.015793" />
+  <C value="0.000010028" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.152689" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.29916E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="421.071" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.279241" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="69" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0233" />
+<SpecificGravity name="Specific gravity"  units="_"  value="3.35803" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.108" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0514795" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.8985" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.672" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.108" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23591.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0514795" />
+<Umr name="UMR" >
+  <group id="208"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7726-95-6" />
+<Smiles name="SMILES"  value="BrBr" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1501" />
+<CompoundID name="Name"  value="Carbon tetrachloride" />
+<StructureFormula name="Structure"  value="CCl4" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="556.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4557000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="349.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="250.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="250.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1122.46" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="153.822" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09707" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.187" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.482E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0523" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.581E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.354E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2535000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8319" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.653E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.438" />
+  <B value="-0.0072903" />
+  <C value="0.00003899" />
+  <Tmin units="K"  value="83.15" />
+  <Tmax units="K"  value="250.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0721" />
+  <B value="0.28328" />
+  <C value="556.3" />
+  <D value="0.30092" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="554.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.671" />
+  <B value="-6304.2" />
+  <C value="-9.2247" />
+  <D value="0.0000074352" />
+  <E value="2" />
+  <Tmin units="K"  value="213.45" />
+  <Tmax units="K"  value="556.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.1764E+07" />
+  <B value="-1.5729" />
+  <C value="5.2158" />
+  <D value="-5.5259" />
+  <E value="2.1931" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="553.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="60986" />
+  <B value="-293.46" />
+  <C value="5.2282" />
+  <D value="-0.019314" />
+  <E value="0.00002862" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="250.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129390" />
+  <B value="1959.2" />
+  <C value="-18.833" />
+  <D value="0.080834" />
+  <E value="-0.000047491" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="388.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37588.04" />
+  <B value="-242.5309" />
+  <C value="11.66726" />
+  <D value="-0.000446049" />
+  <E value="1.391101E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20113" />
+  <B value="-311.19" />
+  <C value="-16.896" />
+  <D value="-1136.9" />
+  <E value="1442.5" />
+  <Tmin units="K"  value="278.2" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.297" />
+  <B value="1645" />
+  <C value="1.7588" />
+  <D value="-0.0000028163" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="455" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029947" />
+  <B value="0.37756" />
+  <C value="454.35" />
+  <D value="5708.3" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.034432" />
+  <B value="-227.95" />
+  <C value="-0.38117" />
+  <D value="-0.0048371" />
+  <E value="-0.0000011782" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="428.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001208" />
+  <B value="0.98541" />
+  <C value="1411.1" />
+  <D value="-36584" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010075" />
+  <B value="136.76" />
+  <C value="-4.0687" />
+  <D value="0.0038054" />
+  <E value="-0.0000094387" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="540.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20936" />
+  <B value="348.23" />
+  <C value="-0.59532" />
+  <D value="0.00047717" />
+  <E value="-0.000000146" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.994" />
+  <B value="2974" />
+  <C value="-35.755" />
+  <Tmin units="K"  value="336.67" />
+  <Tmax units="K"  value="498.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.26584" />
+  <B value="-0.031175" />
+  <C value="0.000028846" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="455" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2754" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.820829E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="330.3023" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="99.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55223" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0391" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.60128" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1875" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0971395" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.33" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.82" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.82" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2581" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.695" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17546.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0971395" />
+<UnifacVLE name="UNIFAC" >
+  <group id="53"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="39"  value="1" />
+  </UnifacLLE>
+<GCmethod name="PPR78" >
+  <group id="53"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="53"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="52"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="56-23-5" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="908" />
+<CompoundID name="Name"  value="Carbon monoxide" />
+<StructureFormula name="Structure"  value="CO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="132.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3494000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0931" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.292" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="81.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="68.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="68.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15400" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.01" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03488" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.045" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.582E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="6402" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.74E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0162" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1053E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.3715E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="197556" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="840984" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.5567" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.83E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="38.293" />
+  <B value="-0.062464" />
+  <Tmin units="K"  value="27.26" />
+  <Tmax units="K"  value="68.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.2423" />
+  <B value="0.2437" />
+  <C value="132.93" />
+  <D value="0.24196" />
+  <Tmin units="K"  value="68.13" />
+  <Tmax units="K"  value="132.92" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.283" />
+  <B value="-1035.1" />
+  <C value="-4.2012" />
+  <D value="0.000062546" />
+  <E value="2" />
+  <Tmin units="K"  value="64.07" />
+  <Tmax units="K"  value="132.92" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8585000" />
+  <B value="0.4921" />
+  <C value="-0.326" />
+  <D value="0.2231" />
+  <E value="0" />
+  <Tmin units="K"  value="68.13" />
+  <Tmax units="K"  value="132.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1396" />
+  <B value="-235.75" />
+  <C value="86.77" />
+  <D value="-2.1914" />
+  <E value="0.018145" />
+  <Tmin units="K"  value="11.95" />
+  <Tmax units="K"  value="62" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63364" />
+  <B value="-10524" />
+  <C value="359.6" />
+  <D value="-3.9494" />
+  <E value="0.014624" />
+  <Tmin units="K"  value="68.09" />
+  <Tmax units="K"  value="132" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29100" />
+  <B value="-1979.753" />
+  <C value="10.58274" />
+  <D value="-0.0000790406" />
+  <E value="-1.99685E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.050638" />
+  <B value="-16.861" />
+  <C value="-0.070987" />
+  <D value="-0.00093802" />
+  <E value="0.00049395" />
+  <Tmin units="K"  value="66.46" />
+  <Tmax units="K"  value="664.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-82.158" />
+  <B value="1037.8" />
+  <C value="14.229" />
+  <D value="-0.00028204" />
+  <E value="2" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="131.37" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012713" />
+  <B value="0.51494" />
+  <C value="105.97" />
+  <D value="-231.11" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.23621" />
+  <B value="-3.5251" />
+  <C value="-0.55788" />
+  <D value="-0.0039362" />
+  <E value="-0.0000082725" />
+  <Tmin units="K"  value="65" />
+  <Tmax units="K"  value="125" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00061581" />
+  <B value="0.6828" />
+  <C value="61.287" />
+  <D value="221.32" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087233" />
+  <B value="5.9843" />
+  <C value="-3.6585" />
+  <D value="0.00036163" />
+  <E value="-0.000067401" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="129.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29443.72" />
+  <B value="-5.672939" />
+  <C value="0.0158794" />
+  <D value="-6.436214E-06" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.308" />
+  <B value="678.37" />
+  <C value="-4.4122" />
+  <Tmin units="K"  value="80.95" />
+  <Tmax units="K"  value="119.28" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.2198" />
+  <B value="-0.055919" />
+  <C value="0.00017035" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="131.37" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0921398" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.704834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="103.1937" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2918" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0111" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.799388" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0295" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0354426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.0679" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.112" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.02528" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.093" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="6402.36" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0354426" />
+<GCmethod name="PPR78" >
+  <group id="22"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="214"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="630-08-0" />
+<Smiles name="SMILES"  value="[C+]#[O-]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="909" />
+<CompoundID name="Name"  value="Carbon dioxide" />
+<StructureFormula name="Structure"  value="OCO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="304.21" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7383000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.094" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="518672" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0095" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0616782" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.223621" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.04E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0197" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.23E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.9351E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.9437E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="213677" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9019000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8255" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="42.04" />
+  <B value="-0.034421" />
+  <C value="-0.0002847" />
+  <Tmin units="K"  value="143.1" />
+  <Tmax units="K"  value="216.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.768" />
+  <B value="0.26212" />
+  <C value="304.21" />
+  <D value="0.2908" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.478" />
+  <B value="-4070" />
+  <C value="-12.07" />
+  <D value="0.000029505" />
+  <E value="2" />
+  <Tmin units="K"  value="216.4" />
+  <Tmax units="K"  value="304.21" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1092E+07" />
+  <B value="0.35366" />
+  <C value="-0.46134" />
+  <D value="0.43554" />
+  <E value="0.037671" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18283" />
+  <B value="1360.3" />
+  <C value="-12.153" />
+  <D value="0.051584" />
+  <E value="-0.000076997" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="216.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80592" />
+  <B value="108.83" />
+  <C value="-6.9126" />
+  <D value="0.059647" />
+  <E value="0.0000069922" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28933" />
+  <B value="-494.28" />
+  <C value="10.658" />
+  <D value="-0.000027375" />
+  <E value="3.3268E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.05255" />
+  <B value="-35.057" />
+  <C value="-1.6557" />
+  <D value="121.54" />
+  <E value="-254.34" />
+  <Tmin units="K"  value="152.1" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7022" />
+  <B value="-166.34" />
+  <C value="0.38094" />
+  <D value="-0.00004018" />
+  <E value="2" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000022464" />
+  <B value="0.45495" />
+  <C value="292.64" />
+  <D value="1669.1" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="1900" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.24975" />
+  <B value="-55.106" />
+  <C value="0.41735" />
+  <D value="-0.0051067" />
+  <E value="0.0000020157" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="300" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="5.804" />
+  <B value="-0.44522" />
+  <C value="794.13" />
+  <D value="2139600" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011629" />
+  <B value="-183.67" />
+  <C value="0.069773" />
+  <D value="-0.012408" />
+  <E value="-0.0000018232" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="19800" />
+  <B value="73.44" />
+  <C value="-0.05602" />
+  <D value="0.00001715" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.794" />
+  <B value="1725.4" />
+  <C value="-16.793" />
+  <Tmin units="K"  value="216.73" />
+  <Tmax units="K"  value="271.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-8.3078" />
+  <B value="0.012091" />
+  <C value="-0.000055826" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.104698" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.011624E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.9268" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.270937" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="26.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.16755" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0132" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.825335" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.231" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0372744" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.2986" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.292" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004474" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.7039" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.231" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14563.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0372744" />
+<GCmethod name="PPR78" >
+  <group id="12"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="215"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="124-38-9" />
+<Smiles name="SMILES"  value="O=C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1938" />
+<CompoundID name="Name"  value="Carbon disulfide" />
+<StructureFormula name="Structure"  value="SCS" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.16" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="319.375" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.11" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.4944" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1407" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0606387" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.110697" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.569E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0312" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.75366E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.68E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="237900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4393000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66599" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.0769E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.411" />
+  <B value="-1.6913E-08" />
+  <Tmin units="K"  value="157.45" />
+  <Tmax units="K"  value="166.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7976" />
+  <B value="0.28757" />
+  <C value="552" />
+  <D value="0.32269" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="52.62041" />
+  <B value="-4546.02" />
+  <C value="-4.744246" />
+  <D value="4.881551E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.9758E+07" />
+  <B value="0.68679" />
+  <C value="0.18227" />
+  <D value="-1.7985" />
+  <E value="1.3658" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11237" />
+  <B value="1443.9" />
+  <C value="-14.995" />
+  <D value="0.077354" />
+  <E value="-0.00014378" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69032" />
+  <B value="671.75" />
+  <C value="2.3423" />
+  <D value="0.015972" />
+  <E value="-0.0000043479" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="26779" />
+  <B value="-222.87" />
+  <C value="10.557" />
+  <D value="0.00011062" />
+  <E value="-5.3772E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.098838" />
+  <B value="-139" />
+  <C value="-11.954" />
+  <D value="1024.2" />
+  <E value="-2823.7" />
+  <Tmin units="K"  value="276" />
+  <Tmax units="K"  value="1932" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.8702" />
+  <B value="691.26" />
+  <C value="-0.072299" />
+  <D value="1.6489E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="161.58" />
+  <Tmax units="K"  value="441.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9681E-08" />
+  <B value="0.92304" />
+  <C value="48.01" />
+  <D value="-162.47" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.12378" />
+  <B value="-150.01" />
+  <C value="-0.453" />
+  <D value="-0.0078739" />
+  <E value="-0.0000032002" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="319.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00033762" />
+  <B value="0.73827" />
+  <C value="483.3" />
+  <D value="-4769.2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015366" />
+  <B value="31.596" />
+  <C value="-2.7768" />
+  <D value="0.00031369" />
+  <E value="-0.0000054115" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23177" />
+  <B value="96.491" />
+  <C value="-0.087795" />
+  <D value="0.000027305" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.955809" />
+  <B value="-1300" />
+  <C value="-7.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.694" />
+  <B value="3154.6" />
+  <C value="-9.3773" />
+  <Tmin units="K"  value="336.03" />
+  <Tmax units="K"  value="495.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3517" />
+  <B value="-0.028388" />
+  <C value="0.000032128" />
+  <Tmin units="K"  value="161.58" />
+  <Tmax units="K"  value="441.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.768909E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.5016" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="61.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.05841" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0256" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26931" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1035" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0606387" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.057" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.65" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.21329" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.107865" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20410.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0606387" />
+<UnifacVLE name="UNIFAC" >
+  <group id="59"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="59"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="59"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="58"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-15-0" />
+<Smiles name="SMILES"  value="S=C=S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1894" />
+<CompoundID name="Name"  value="Phosgene" />
+<StructureFormula name="Structure"  value="COCl2" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="455" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5674200" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.19" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.285" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="280.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="145.37" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="145.37" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.920651" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.9161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0597955" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.201309" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.877E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0349" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.189E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.0479E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="283740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5738400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79377" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.746E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.551" />
+  <B value="-3.4911E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4691" />
+  <B value="0.2768" />
+  <C value="455" />
+  <D value="0.27965" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.03568" />
+  <B value="-5112.106" />
+  <C value="-9.267047" />
+  <D value="0.0000119936" />
+  <E value="2" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="455.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.367252E+07" />
+  <B value="1.081822" />
+  <C value="-0.773774" />
+  <D value="-0.1937" />
+  <E value="0.317951" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18843" />
+  <B value="2190.2" />
+  <C value="-28.32" />
+  <D value="0.18" />
+  <E value="-0.00042062" />
+  <Tmin units="K"  value="12.61" />
+  <Tmax units="K"  value="139.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101240" />
+  <B value="-202030" />
+  <C value="196.31" />
+  <D value="2.1704" />
+  <E value="-0.0015512" />
+  <Tmin units="K"  value="139.95" />
+  <Tmax units="K"  value="280" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32506" />
+  <B value="-282.16" />
+  <C value="11.124" />
+  <D value="-0.00017636" />
+  <E value="4.5651E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1073" />
+  <B value="-108.96" />
+  <C value="-9.5718" />
+  <D value="1547.3" />
+  <E value="-3904.5" />
+  <Tmin units="K"  value="227.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-789.51" />
+  <B value="22474" />
+  <C value="129.1" />
+  <D value="-0.00032789" />
+  <E value="2" />
+  <Tmin units="K"  value="224.53" />
+  <Tmax units="K"  value="280.71" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.2229E-07" />
+  <B value="0.58405" />
+  <C value="277.35" />
+  <D value="-6111.6" />
+  <Tmin units="K"  value="280.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0025061" />
+  <B value="3.5674" />
+  <C value="-1.6592" />
+  <D value="-0.0007952" />
+  <E value="-0.0000018088" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="312.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000024368" />
+  <B value="1.1423" />
+  <C value="246.56" />
+  <D value="4296.5" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="800" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016139" />
+  <B value="28.561" />
+  <C value="-2.9789" />
+  <D value="0.00058557" />
+  <E value="-0.0000072142" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24077" />
+  <B value="146.75" />
+  <C value="-0.13621" />
+  <D value="0.00004266" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.371608" />
+  <B value="-2350" />
+  <C value="-14.1" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.656" />
+  <B value="2693.4" />
+  <C value="-15.019" />
+  <Tmin units="K"  value="275.74" />
+  <Tmax units="K"  value="406.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2091" />
+  <B value="-0.031794" />
+  <C value="0.000046341" />
+  <Tmin units="K"  value="224.53" />
+  <Tmax units="K"  value="280.71" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.19221" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.838184E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="323.8665" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="64.01" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01253" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0271" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.381" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0705389" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.300593" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.08" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.20305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1918" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17837.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0705389" />
+<CAS name="CAS number"  value="75-44-5" />
+<Smiles name="SMILES"  value="ClC(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1855" />
+<CompoundID name="Name"  value="Trichloroacetyl chloride" />
+<StructureFormula name="Structure"  value="CCl3COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="604" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3408" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.293" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5.18177" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="181.833" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112961" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.282386" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.037E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06337" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.398E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.8E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9040000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.062E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.247" />
+  <B value="-0.0070805" />
+  <Tmin units="K"  value="86.48" />
+  <Tmax units="K"  value="216.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76674" />
+  <B value="0.26122" />
+  <C value="604" />
+  <D value="0.28678" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.9617" />
+  <B value="-10592.68" />
+  <C value="-23.45621" />
+  <D value="0.0000238342" />
+  <E value="2" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.449329E+08" />
+  <B value="7.45895" />
+  <C value="-20.20511" />
+  <D value="23.04844" />
+  <E value="-9.793955" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177260" />
+  <B value="-1933.8" />
+  <C value="48.92" />
+  <D value="-0.20004" />
+  <E value="0.00024097" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91870" />
+  <B value="-696.64" />
+  <C value="12.555" />
+  <D value="-0.0015691" />
+  <E value="6.1156E-07" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25973" />
+  <B value="-344.77" />
+  <C value="-15.647" />
+  <D value="-53770" />
+  <E value="128480" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.095" />
+  <B value="1867" />
+  <C value="-0.00010079" />
+  <D value="1.1286E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001265" />
+  <B value="0.7796" />
+  <C value="98.46" />
+  <D value="0.0024692" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.043702" />
+  <B value="-153.3" />
+  <C value="-0.62199" />
+  <D value="-0.0058162" />
+  <E value="0.0000023649" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0006898" />
+  <B value="0.5929" />
+  <C value="623.5" />
+  <D value="0.0039481" />
+  <Tmin units="K"  value="391.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090309" />
+  <B value="135.05" />
+  <C value="-3.8737" />
+  <D value="0.003953" />
+  <E value="-0.0000095091" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="57646" />
+  <B value="236.17" />
+  <C value="-0.225" />
+  <D value="0.000077151" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.34" />
+  <B value="2694.7" />
+  <C value="-85.515" />
+  <Tmin units="K"  value="379.48" />
+  <Tmax units="K"  value="542.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="7.2231" />
+  <B value="-0.06534" />
+  <C value="0.000072292" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.33807" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.686395E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="474.9781" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="121.91" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0493" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.62992" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34435" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.112737" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.177323" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.544" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347734" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18501.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.112737" />
+<CAS name="CAS number"  value="76-02-8" />
+<Smiles name="SMILES"  value="ClC(Cl)(Cl)C(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1904" />
+<CompoundID name="Name"  value="Hydrogen chloride" />
+<StructureFormula name="Structure"  value="HCl" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="324.69" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.081" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="188.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13521.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="36.461" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03028" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.126" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.09E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01602" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.231E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.53E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="186786" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66635" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.86E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="41.04" />
+  <B value="-0.0070156" />
+  <Tmin units="K"  value="103.15" />
+  <Tmax units="K"  value="158.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3619" />
+  <B value="0.23301" />
+  <C value="324.69" />
+  <D value="0.25076" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="138.2562" />
+  <B value="-4825.245" />
+  <C value="-19.73669" />
+  <D value="0.0000650759" />
+  <E value="2" />
+  <Tmin units="K"  value="142.85" />
+  <Tmax units="K"  value="324.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9563E+07" />
+  <B value="-0.79988" />
+  <C value="3.8907" />
+  <D value="-4.9768" />
+  <E value="2.2266" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10811" />
+  <B value="1080.6" />
+  <C value="-9.6311" />
+  <D value="0.047728" />
+  <E value="-0.000091003" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="158" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-53340" />
+  <B value="265.92" />
+  <C value="4.243" />
+  <D value="0.058092" />
+  <E value="-0.00013923" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="188.13" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29096.99" />
+  <B value="-1271.123" />
+  <C value="6.610209" />
+  <D value="0.00378635" />
+  <E value="-0.0000013094" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="1600" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.041738" />
+  <B value="-31.981" />
+  <C value="-2.0074" />
+  <D value="-28.378" />
+  <E value="43.867" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="1622.33" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-196.43" />
+  <B value="5474.4" />
+  <C value="31.068" />
+  <D value="-0.000094243" />
+  <E value="2" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="318.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1969E-07" />
+  <B value="0.66444" />
+  <C value="177.83" />
+  <D value="-3965.9" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.4993" />
+  <B value="-113.3" />
+  <C value="0.99185" />
+  <D value="-0.0023549" />
+  <E value="-0.0000033612" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="323.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0017816" />
+  <B value="0.5013" />
+  <C value="331.03" />
+  <D value="3750.8" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="700" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056361" />
+  <B value="317.9" />
+  <C value="-7.6858" />
+  <D value="0.026562" />
+  <E value="-0.00006761" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29475.76" />
+  <B value="-3.761741" />
+  <C value="0.00844854" />
+  <D value="-2.58231E-06" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.410371" />
+  <B value="-2300" />
+  <C value="-13.8" />
+  <Tmin units="K"  value="281.9278" />
+  <Tmax units="K"  value="451.9278" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.854" />
+  <B value="1925.3" />
+  <C value="-1.5518" />
+  <Tmin units="K"  value="196.58" />
+  <Tmax units="K"  value="290.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3436" />
+  <B value="-0.038305" />
+  <C value="0.000048386" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="318.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.11545" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.36E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="23.31" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.35497" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0125" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.854783" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1254" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.030563" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.056032" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.1" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.3766" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.121" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22003.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.030563" />
+<Umr name="UMR" >
+  <group id="218"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7647-01-0" />
+<Smiles name="SMILES"  value="Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="918" />
+<CompoundID name="Name"  value="Chlorine" />
+<StructureFormula name="Structure"  value="Cl2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="417" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.124" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="239.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="172.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1366.04" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.905" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04536" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.073" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.7E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0241" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.81E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="222972" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6406000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.55192" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.476" />
+  <B value="-4.0445E-09" />
+  <Tmin units="K"  value="113.15" />
+  <Tmax units="K"  value="122.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8293" />
+  <B value="0.25" />
+  <C value="417.16" />
+  <D value="0.26753" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="45.776" />
+  <B value="-3292.7" />
+  <C value="-3.7926" />
+  <D value="0.0000049863" />
+  <E value="2" />
+  <Tmin units="K"  value="169.02" />
+  <Tmax units="K"  value="417.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.9601E+07" />
+  <B value="0.77334" />
+  <C value="-1.0279" />
+  <D value="0.93368" />
+  <E value="-0.2926" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="416.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22198" />
+  <B value="1876.1" />
+  <C value="-22.303" />
+  <D value="0.12569" />
+  <E value="-0.00025585" />
+  <Tmin units="K"  value="19.81" />
+  <Tmax units="K"  value="164.99" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66547" />
+  <B value="12488" />
+  <C value="-246.3" />
+  <D value="-2.7266" />
+  <E value="-0.021518" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="239.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28958" />
+  <B value="-398.03" />
+  <C value="10.125" />
+  <D value="-0.0010681" />
+  <E value="3.8414E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.069476" />
+  <B value="-70.479" />
+  <C value="-4.3328" />
+  <D value="1090.9" />
+  <E value="-2256.3" />
+  <Tmin units="K"  value="208.6" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.351" />
+  <B value="502.6" />
+  <C value="0.30506" />
+  <D value="-9.5237E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="333.72" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5899E-07" />
+  <B value="0.74273" />
+  <C value="97.463" />
+  <D value="-22.488" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.48743" />
+  <B value="13.229" />
+  <C value="-0.49371" />
+  <D value="0.00052989" />
+  <E value="-0.0000020491" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="410" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00096588" />
+  <B value="0.54995" />
+  <C value="434.26" />
+  <D value="3605.9" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.082803" />
+  <B value="-1.889" />
+  <C value="-1.8585" />
+  <D value="-0.0013422" />
+  <E value="-4.1394E-07" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="404.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25409" />
+  <B value="44.655" />
+  <C value="-0.067331" />
+  <D value="0.000047334" />
+  <E value="-1.2685E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.434" />
+  <B value="2268.7" />
+  <C value="-9.9047" />
+  <Tmin units="K"  value="255.79" />
+  <Tmax units="K"  value="374.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8294" />
+  <B value="-0.023375" />
+  <C value="0.000031235" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="333.72" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13457" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.380459E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.0039" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="38.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01934" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.41956" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0821999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0455063" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5887" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.524" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59414" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0547" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20120" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0455063" />
+<Umr name="UMR" >
+  <group id="207"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-50-5" />
+<Smiles name="SMILES"  value="ClCl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1907" />
+<CompoundID name="Name"  value="Hydrogen iodide" />
+<StructureFormula name="Structure"  value="HI" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="423.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.287" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="237.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="222.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="222.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="49326.4" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="127.912" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0507575" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.0380703" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.418E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02537" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.982E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.65E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1716000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="206481" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2872100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.55826" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.162E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.652" />
+  <B value="1.0295E-08" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="87.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.29008" />
+  <B value="0.10272" />
+  <C value="423.85" />
+  <D value="0.12802" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="422" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.208" />
+  <B value="-3309.5" />
+  <C value="-4.2202" />
+  <D value="0.0000058868" />
+  <E value="2" />
+  <Tmin units="K"  value="217.95" />
+  <Tmax units="K"  value="423.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5057E+07" />
+  <B value="2.4036" />
+  <C value="-3.4166" />
+  <D value="1.5877" />
+  <E value="-0.0027034" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="416.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="12463" />
+  <B value="747.87" />
+  <C value="-6.2562" />
+  <D value="0.02194" />
+  <E value="-0.000024523" />
+  <Tmin units="K"  value="100.69" />
+  <Tmax units="K"  value="218" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47228" />
+  <B value="657.18" />
+  <C value="2.2493" />
+  <D value="0.031778" />
+  <E value="-0.000056365" />
+  <Tmin units="K"  value="222.37" />
+  <Tmax units="K"  value="237.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29070.86" />
+  <B value="-1600.955" />
+  <C value="9.445762" />
+  <D value="0.000914155" />
+  <E value="-4.506661E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.449" />
+  <B value="-959.41" />
+  <C value="4.2445" />
+  <D value="-0.000095025" />
+  <E value="2" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="242.89" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6146E-07" />
+  <B value="0.8587" />
+  <C value="45.387" />
+  <D value="-1595.3" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="650" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.2841" />
+  <B value="21.17" />
+  <C value="-1.299" />
+  <D value="0.00096857" />
+  <E value="-0.0000020056" />
+  <Tmin units="K"  value="225.19" />
+  <Tmax units="K"  value="420.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042343" />
+  <B value="0.89806" />
+  <C value="44.783" />
+  <D value="-39.662" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.05247" />
+  <B value="5.663" />
+  <C value="-2.1706" />
+  <D value="-0.0013606" />
+  <E value="-0.0000012045" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="413.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29521" />
+  <B value="-4.9613" />
+  <C value="0.013867" />
+  <D value="-0.0000053438" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.158041" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="276.3722" />
+  <Tmax units="K"  value="446.3722" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.903" />
+  <B value="1993.1" />
+  <C value="-25.784" />
+  <Tmin units="K"  value="256.02" />
+  <Tmax units="K"  value="381.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-16.715" />
+  <B value="0.095325" />
+  <C value="-0.0002226" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="242.89" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13492" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.13E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="32.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.54382" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0359999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0457176" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.6724" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.5928" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0380703" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19866.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0457176" />
+<Umr name="UMR" >
+  <group id="220"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="10034-85-2" />
+<Smiles name="SMILES"  value="I" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="902" />
+<CompoundID name="Name"  value="Hydrogen" />
+<StructureFormula name="Structure"  value="H2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="33.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1313000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.064147" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.305" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="20.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="13.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="13.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7220" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="2.01588" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0285681" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.215993" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.708E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="6648" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.00632" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.43E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="130571" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="117100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.1252" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4182E+08" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.9613" />
+  <B value="0.25981" />
+  <C value="33.19" />
+  <D value="0.19104" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33.18" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="13.05" />
+  <B value="-97.534" />
+  <C value="1.0355" />
+  <D value="0.00031816" />
+  <E value="2" />
+  <Tmin units="K"  value="13.08" />
+  <Tmax units="K"  value="33.19" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1534700" />
+  <B value="3.214" />
+  <C value="-8.4567" />
+  <D value="8.4646" />
+  <E value="-2.8057" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="32.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5730" />
+  <B value="-1.3847E-11" />
+  <C value="1.1605E-12" />
+  <D value="-1.2321E-13" />
+  <E value="4.114E-15" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="23.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="14510" />
+  <B value="-1191.1" />
+  <C value="156.51" />
+  <D value="-6.1773" />
+  <E value="0.087907" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="32" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="3994.325" />
+  <B value="-48.69006" />
+  <C value="10.36209" />
+  <D value="-0.000340144" />
+  <E value="1.960333E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.02413" />
+  <B value="-2.768" />
+  <C value="-0.00051788" />
+  <D value="2.2059E-07" />
+  <E value="-3.1197E-08" />
+  <Tmin units="K"  value="16.6" />
+  <Tmax units="K"  value="431.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-32.531" />
+  <B value="97.304" />
+  <C value="5.9178" />
+  <D value="-0.0031563" />
+  <E value="2" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7916E-07" />
+  <B value="0.68557" />
+  <C value="-0.51413" />
+  <D value="132.61" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.34238" />
+  <B value="-4.3002" />
+  <C value="-0.53814" />
+  <D value="0.0011639" />
+  <E value="-0.00021792" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="31" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0026851" />
+  <B value="0.74366" />
+  <C value="13.289" />
+  <D value="-31.305" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003232" />
+  <B value="1.9865" />
+  <C value="-5.0915" />
+  <D value="-0.00046122" />
+  <E value="-0.00062971" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="32.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="5" />
+  <A value="23052.64" />
+  <B value="33.74914" />
+  <C value="-0.0639907" />
+  <D value="0.000051023" />
+  <E value="-1.37699E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000284" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="18.072" />
+  <B value="137.26" />
+  <C value="0.53751" />
+  <Tmin units="K"  value="20.03" />
+  <Tmax units="K"  value="29.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-9.6512" />
+  <B value="-0.067852" />
+  <C value="-0.0003859" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.06424" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.105589E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="30.15782" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.3139" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="6.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0061" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.0698591" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.2324" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0285681" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.4092" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.5516" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.025891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="6647.875" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.031" />
+<GCmethod name="PPR78" >
+  <group id="16"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="205"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="1333-74-0" />
+<Smiles name="SMILES"  value="[H][H]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1921" />
+<CompoundID name="Name"  value="Water" />
+<StructureFormula name="Structure"  value="HOH" />
+<Family name="Family"  value="84" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="647.14" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2.2064E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.05595" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="373.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="273.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="273.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="611.73" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="18.015" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.01807" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.344" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.15E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="47860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01237" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.26E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.41814E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.2859E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="188724" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6001740" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0783" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="52.967" />
+  <B value="-0.0075822" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="273.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="106" />
+  <A value="32.51621" />
+  <B value="-3.213004" />
+  <C value="7.92411" />
+  <D value="-7.359898" />
+  <E value="2.703522" />
+  <Tmin units="K"  value="253.1" />
+  <Tmax units="K"  value="647.29" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.55502" />
+  <B value="-7295.586" />
+  <C value="-7.442448" />
+  <D value="0.0000042881" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="647.29" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.964E+07" />
+  <B value="0.86515" />
+  <C value="-1.1134" />
+  <D value="0.67764" />
+  <E value="-0.026925" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="647.28" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-262.51" />
+  <B value="140.52" />
+  <C value="-0.0000038869" />
+  <D value="-1.1996E-08" />
+  <E value="7.1879E-11" />
+  <Tmin units="K"  value="3.15" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75539" />
+  <B value="-22297" />
+  <C value="136.02" />
+  <D value="-0.25622" />
+  <E value="0.00018273" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33200" />
+  <B value="-878.9001" />
+  <C value="8.436956" />
+  <D value="0.00207627" />
+  <E value="-6.467085E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1600" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.01973" />
+  <B value="-22.635" />
+  <C value="-18.029" />
+  <D value="-2747" />
+  <E value="498.58" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-133.7" />
+  <B value="6785.7" />
+  <C value="18.47" />
+  <D value="-0.000014736" />
+  <E value="2" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="647.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.002327E-08" />
+  <B value="0.934576" />
+  <C value="195.6338" />
+  <D value="-13045.99" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1073.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-1.5697" />
+  <B value="-55.141" />
+  <C value="0.7832" />
+  <D value="0.0011484" />
+  <E value="-0.0000018151" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000065986" />
+  <B value="1.3947" />
+  <C value="59.478" />
+  <D value="-15484" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1073.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031819" />
+  <B value="167.09" />
+  <C value="-3.6781" />
+  <D value="0.0053717" />
+  <E value="-0.0000084188" />
+  <Tmin units="K"  value="265.1" />
+  <Tmax units="K"  value="647.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33444.62" />
+  <B value="-5.799206" />
+  <C value="0.0251681" />
+  <D value="-0.0000143103" />
+  <E value="2.76249E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="1.78042" />
+  <B value="28066.24" />
+  <C value="-0.635922" />
+  <D value="-0.0472309" />
+  <E value="1" />
+  <Tmin units="K"  value="238" />
+  <Tmax units="K"  value="635" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.401" />
+  <B value="3987.3" />
+  <C value="-37.161" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.886" />
+  <B value="-0.026811" />
+  <C value="0.000020554" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="647.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.04357" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.52E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="775" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2338" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="13.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58321" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00926" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.997986" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.65445" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0180674" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.92" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.4" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.243997" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.201789" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.54619" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.328" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="47812.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0180674" />
+<UnifacVLE name="UNIFAC" >
+  <group id="17"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="17"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="14"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="17"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="17"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="16"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7732-18-5" />
+<Smiles name="SMILES"  value="O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1922" />
+<CompoundID name="Name"  value="Hydrogen sulfide" />
+<StructureFormula name="Structure"  value="HSH" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="373.53" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8962910" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0985" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.284" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="212.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.68" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="23200" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="34.0809" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0438045" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.0941677" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.384E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01872" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.10256E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.063E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.344E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="205600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2376500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.71153" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.18E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="35.215" />
+  <B value="-8.5522E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3565" />
+  <B value="0.25354" />
+  <C value="373.53" />
+  <D value="0.26514" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="373.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.34868" />
+  <B value="-3078.428" />
+  <C value="-4.229632" />
+  <D value="6.844234E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.19" />
+  <Tmax units="K"  value="373.56" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7198E+07" />
+  <B value="0.69517" />
+  <C value="-0.69951" />
+  <D value="0.51422" />
+  <E value="-0.11694" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="363.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14680" />
+  <B value="1308" />
+  <C value="-20.353" />
+  <D value="0.18038" />
+  <E value="-0.00052695" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="130" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68743" />
+  <B value="-100800" />
+  <C value="1016.4" />
+  <D value="-3.3645" />
+  <E value="0.0037533" />
+  <Tmin units="K"  value="187.67" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33121.9" />
+  <B value="-869.6079" />
+  <C value="9.605736" />
+  <D value="0.00110059" />
+  <E value="-3.859399E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.053996" />
+  <B value="-21.785" />
+  <C value="-7.6379" />
+  <D value="493.56" />
+  <E value="-1758.3" />
+  <Tmin units="K"  value="261.24" />
+  <Tmax units="K"  value="1866" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="7.527" />
+  <B value="261.77" />
+  <C value="-3.1833" />
+  <D value="0.0000078743" />
+  <E value="2" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4328E-08" />
+  <B value="1.0455" />
+  <C value="58.912" />
+  <D value="-13329" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="573.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078369" />
+  <B value="-33.634" />
+  <C value="-0.24641" />
+  <D value="-0.0025463" />
+  <E value="-0.0000049089" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="292.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.0611E-07" />
+  <B value="1.8773" />
+  <C value="-355.78" />
+  <D value="45782" />
+  <Tmin units="K"  value="212.8" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.006184" />
+  <B value="258.76" />
+  <C value="-6.4137" />
+  <D value="0.016755" />
+  <E value="-0.000040713" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="363.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31940" />
+  <B value="1.436" />
+  <C value="0.02432" />
+  <D value="-0.00001176" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1400" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.158329" />
+  <B value="-2900" />
+  <C value="-17.4" />
+  <Tmin units="K"  value="263.0389" />
+  <Tmax units="K"  value="433.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.576" />
+  <B value="2013.6" />
+  <C value="-12.348" />
+  <Tmin units="K"  value="224.47" />
+  <Tmax units="K"  value="334.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3152" />
+  <B value="-0.036018" />
+  <C value="0.00004512" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0995289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.49E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="343" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.285" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="27.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77777" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0143" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.788408" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0941677" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0358604" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.234" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.241" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010699" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.84234" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0941677" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18000.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0358604" />
+<GCmethod name="PPR78" >
+  <group id="14"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="222"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7783-06-4" />
+<Smiles name="SMILES"  value="S " />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1911" />
+<CompoundID name="Name"  value="Ammonia" />
+<StructureFormula name="Structure"  value="NH3" />
+<Family name="Family"  value="78" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="405.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.1353E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07247" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="239.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195.41" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195.41" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6111.09" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="17.031" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02496" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.256" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.533E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0138" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.5898E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.64E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="192660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5657000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8625" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1683E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="47.973" />
+  <B value="-1.0295E-08" />
+  <Tmin units="K"  value="194.15" />
+  <Tmax units="K"  value="203.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="4.0518" />
+  <B value="0.27129" />
+  <C value="405.4" />
+  <D value="0.31349" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="405.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.8849" />
+  <B value="-4136.862" />
+  <C value="-6.320663" />
+  <D value="9.203947E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="191.24" />
+  <Tmax units="K"  value="406.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.4542E+07" />
+  <B value="-1.3178" />
+  <C value="4.7194" />
+  <D value="-5.4808" />
+  <E value="2.4196" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="403.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5983.8" />
+  <B value="380.66" />
+  <C value="-0.59542" />
+  <D value="-0.00029099" />
+  <E value="0.0000049048" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="190" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77659" />
+  <B value="-45330" />
+  <C value="445.74" />
+  <D value="-1.4197" />
+  <E value="0.0015508" />
+  <Tmin units="K"  value="195.45" />
+  <Tmax units="K"  value="401.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33239" />
+  <B value="-913.64" />
+  <C value="10.802" />
+  <D value="0.00021047" />
+  <E value="-4.1739E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.022146" />
+  <B value="-24.138" />
+  <C value="-4.7806" />
+  <D value="-283.84" />
+  <E value="438.72" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="700" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-39.742" />
+  <B value="1486.5" />
+  <C value="4.7749" />
+  <D value="-0.000015796" />
+  <E value="2" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000000459" />
+  <B value="0.96936" />
+  <C value="48.366" />
+  <D value="-2671.4" />
+  <Tmin units="K"  value="194.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.95309" />
+  <B value="14.684" />
+  <C value="0.56768" />
+  <D value="-0.00028968" />
+  <E value="-0.0000019238" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="400.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016165" />
+  <B value="1.3146" />
+  <C value="75.168" />
+  <D value="-8202.1" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="900" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01195" />
+  <B value="209.99" />
+  <C value="-5.1813" />
+  <D value="0.011762" />
+  <E value="-0.000027715" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="405.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35237" />
+  <B value="-35.045" />
+  <C value="0.1697" />
+  <D value="-0.00017677" />
+  <E value="6.3273E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4.496581" />
+  <B value="-2921.581" />
+  <C value="-67.15132" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="405" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.41" />
+  <B value="2389.4" />
+  <C value="-20.094" />
+  <Tmin units="K"  value="245.37" />
+  <Tmax units="K"  value="363.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4864" />
+  <B value="-0.018932" />
+  <C value="0.000013325" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.07011" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.15E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="358" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="20.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15459" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0108" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.616067" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26199" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0249801" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9097" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.98" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.975515" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.087598" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.78649" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2517" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29224.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0249801" />
+<Umr name="UMR" >
+  <group id="223"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7664-41-7" />
+<Smiles name="SMILES"  value="N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="919" />
+<CompoundID name="Name"  value="Neon" />
+<StructureFormula name="Structure"  value="Ne" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="44.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2653000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0417" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.3" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="27.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="24.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="24.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="43300" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="20.1797" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0167622" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.0395988" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="9440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01033" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.94E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="146219" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="328100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.41453" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="74.691" />
+  <B value="-2.7704E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="7.3718" />
+  <B value="0.3067" />
+  <C value="44.4" />
+  <D value="0.2786" />
+  <Tmin units="K"  value="24.56" />
+  <Tmax units="K"  value="44.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="29.459" />
+  <B value="-269.41" />
+  <C value="-2.5349" />
+  <D value="0.00051726" />
+  <E value="2" />
+  <Tmin units="K"  value="23.45" />
+  <Tmax units="K"  value="44.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1420900" />
+  <B value="-0.63029" />
+  <C value="-0.0022325" />
+  <D value="1.6268" />
+  <E value="-0.7611" />
+  <Tmin units="K"  value="24.54" />
+  <Tmax units="K"  value="44" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29948" />
+  <B value="-243.96" />
+  <C value="32.083" />
+  <D value="-0.79445" />
+  <E value="0.01023" />
+  <Tmin units="K"  value="24.56" />
+  <Tmax units="K"  value="40" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="-1728.5" />
+  <C value="-21.855" />
+  <D value="0.0020512" />
+  <E value="2.1139E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.015332" />
+  <B value="-1.1833" />
+  <C value="-0.0082949" />
+  <D value="0.0010901" />
+  <E value="-0.00047018" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1332" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.002" />
+  <B value="434.94" />
+  <C value="18.35" />
+  <D value="-0.0034996" />
+  <E value="2" />
+  <Tmin units="K"  value="25.09" />
+  <Tmax units="K"  value="44.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.6731E-07" />
+  <B value="0.65634" />
+  <C value="5.8941" />
+  <D value="175.84" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.49811" />
+  <B value="-1.8025" />
+  <C value="-0.49257" />
+  <D value="0.0090166" />
+  <E value="-0.00024023" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011717" />
+  <B value="0.66099" />
+  <C value="12.109" />
+  <D value="-70.155" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013077" />
+  <B value="-9.4638" />
+  <C value="-2.5288" />
+  <D value="-0.052153" />
+  <E value="0.00036172" />
+  <Tmin units="K"  value="24" />
+  <Tmax units="K"  value="43.36" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20772.31" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000127" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="18.782" />
+  <B value="165.29" />
+  <C value="-4.297" />
+  <Tmin units="K"  value="26.65" />
+  <Tmax units="K"  value="39.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-7.0259" />
+  <B value="-0.062253" />
+  <C value="-0.00034802" />
+  <Tmin units="K"  value="25.09" />
+  <Tmax units="K"  value="44.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0551691" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.744173E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="38.01305" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="5.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00444" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.20168" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.0413762" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0167622" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.680949" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.776" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.0413762" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="9417.34" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0167622" />
+<Umr name="UMR" >
+  <group id="202"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-01-9" />
+<Smiles name="SMILES"  value="[Ne]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1903" />
+<CompoundID name="Name"  value="Nitric acid" />
+<StructureFormula name="Structure"  value="HNO3" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="520" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6890100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.145" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.231" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="60.7682" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="63.0128" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.041734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.714406" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.2491E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02486" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.91E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.343E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.401E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="266370" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.047E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.1998" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1.34E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="30.073" />
+  <B value="-1.103E-09" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="241.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="6.9293" />
+  <B value="0.47274" />
+  <C value="520" />
+  <D value="0.49837" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="26.654" />
+  <B value="-5017.1" />
+  <C value="-0.036699" />
+  <D value="-0.0000064771" />
+  <E value="2" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="376.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.01E+07" />
+  <B value="0.68707" />
+  <C value="-0.0019914" />
+  <D value="0.0028792" />
+  <E value="-0.0014403" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="359.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15807" />
+  <B value="1147" />
+  <C value="-8.2333" />
+  <D value="0.029082" />
+  <E value="-0.000034574" />
+  <Tmin units="K"  value="22.94" />
+  <Tmax units="K"  value="225.42" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111110" />
+  <B value="-611.57" />
+  <C value="-2.7202" />
+  <D value="0.014286" />
+  <E value="-0.000033905" />
+  <Tmin units="K"  value="238.57" />
+  <Tmax units="K"  value="302.89" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32639" />
+  <B value="-463.06" />
+  <C value="11.547" />
+  <D value="-0.00011018" />
+  <E value="4.1801E-09" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="264.29" />
+  <B value="-7985" />
+  <C value="-44.099" />
+  <D value="0.000074947" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="367.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2234E-07" />
+  <B value="0.72283" />
+  <C value="140.72" />
+  <D value="-0.0025913" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.15591" />
+  <B value="-186.43" />
+  <C value="-2.2714" />
+  <D value="0.0033214" />
+  <E value="-0.0000018932" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00063365" />
+  <B value="0.72057" />
+  <C value="645.24" />
+  <D value="0.005306" />
+  <Tmin units="K"  value="356.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.0024017" />
+  <B value="-360.8" />
+  <C value="0.85285" />
+  <D value="-0.011656" />
+  <E value="0.00000622" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="313.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17609.83" />
+  <B value="143.171" />
+  <C value="-0.0711401" />
+  <D value="0" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.093" />
+  <B value="3202.8" />
+  <C value="-52.952" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="376.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.56421" />
+  <B value="-0.038177" />
+  <C value="0.000041918" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="367.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13222" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.688965E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="173.748" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="25.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-5.603" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0241" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.52364" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.71438" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.041734" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.638761" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="8.661" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.714406" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29605.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.041734" />
+<CAS name="CAS number"  value="7697-37-2" />
+<Smiles name="SMILES"  value="ON(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="912" />
+<CompoundID name="Name"  value="Nitric oxide" />
+<StructureFormula name="Structure"  value="NO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="180" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.058" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="121.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="112.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="109.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21890" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.006" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02344" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.582" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.488E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0139" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.46487E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.025E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.657E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="210600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2301000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3447" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.02489E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="52.715" />
+  <B value="-0.013637" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="109.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.1354" />
+  <B value="0.19686" />
+  <C value="180.16" />
+  <D value="0.15443" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="180.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="98.67523" />
+  <B value="-3011.477" />
+  <C value="-13.21121" />
+  <D value="0.000072078" />
+  <E value="2" />
+  <Tmin units="K"  value="106.16" />
+  <Tmax units="K"  value="180.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.4721E+07" />
+  <B value="2.2365" />
+  <C value="-5.8672" />
+  <D value="6.8169" />
+  <E value="-2.7529" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="176.43" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38756" />
+  <B value="-323.94" />
+  <C value="15.685" />
+  <D value="-0.060412" />
+  <E value="0.00033434" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="150" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29831.89" />
+  <B value="-2622.96" />
+  <C value="12.94433" />
+  <D value="-0.00260975" />
+  <E value="6.261468E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.019784" />
+  <B value="-8.5287" />
+  <C value="-0.2596" />
+  <D value="0.022481" />
+  <E value="-0.1424" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="901.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-50.098" />
+  <B value="734.63" />
+  <C value="8.0267" />
+  <D value="-0.00017996" />
+  <E value="2" />
+  <Tmin units="K"  value="109.15" />
+  <Tmax units="K"  value="180.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010289" />
+  <B value="0.55954" />
+  <C value="89.353" />
+  <D value="515.43" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.85384" />
+  <B value="4.7868" />
+  <C value="-0.010049" />
+  <D value="0.0010454" />
+  <E value="-0.0000086044" />
+  <Tmin units="K"  value="81" />
+  <Tmax units="K"  value="176.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00046657" />
+  <B value="0.73353" />
+  <C value="58.917" />
+  <D value="-625.75" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="750" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0028436" />
+  <B value="551.06" />
+  <C value="-17.017" />
+  <D value="0.13002" />
+  <E value="-0.00047689" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="176.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37698" />
+  <B value="-63.556" />
+  <C value="0.17178" />
+  <D value="-0.00017926" />
+  <E value="6.7015E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.389" />
+  <B value="1041.3" />
+  <C value="-25.5" />
+  <Tmin units="K"  value="110.7" />
+  <Tmax units="K"  value="161.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.7207" />
+  <B value="0.0029181" />
+  <C value="-0.00012236" />
+  <Tmin units="K"  value="109.15" />
+  <Tmax units="K"  value="180.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0665" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.794133E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="81.09816" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="10.65" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00897" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.0713227" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5896" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0234267" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9163" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.9859" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.582944" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23117.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0234267" />
+<GCmethod name="PPR78" >
+  <group id="27"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="10102-43-9" />
+<Smiles name="SMILES"  value="[N]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="900" />
+<CompoundID name="Name"  value="Nitrogen dioxide" />
+<StructureFormula name="Structure"  value="ONO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="431.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.01325E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.08249" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="261.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="261.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18728.3" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.0055" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.031997" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.851088" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.431E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="33390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.05E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01598" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.827E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.318E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.1328E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="239920" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.465E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.21704" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.30954E+07" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.2179" />
+  <B value="0.22994" />
+  <C value="431.38" />
+  <D value="0.19006" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="431.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="18.404" />
+  <B value="-3508.6" />
+  <C value="0.81255" />
+  <D value="0.0000049983" />
+  <E value="2" />
+  <Tmin units="K"  value="252.77" />
+  <Tmax units="K"  value="431.37" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.37E+07" />
+  <B value="0.3" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="291.15" />
+  <Tmax units="K"  value="431.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="14.968" />
+  <B value="997.55" />
+  <C value="-5.6124" />
+  <D value="0.014033" />
+  <E value="-0.000013158" />
+  <Tmin units="K"  value="261.95" />
+  <Tmax units="K"  value="271.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77435" />
+  <B value="432.69" />
+  <C value="5.3737" />
+  <D value="0.020804" />
+  <E value="-0.000021695" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32962.96" />
+  <B value="-578.7755" />
+  <C value="10.44921" />
+  <D value="0.0000793322" />
+  <E value="-5.181036E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-311.49" />
+  <B value="10041" />
+  <C value="49.027" />
+  <D value="-0.00010518" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2078E-08" />
+  <B value="1.1399" />
+  <C value="-382.56" />
+  <D value="78187" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11611" />
+  <B value="127610" />
+  <C value="-1409.1" />
+  <D value="5.1777" />
+  <E value="-0.0063738" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.070851" />
+  <B value="-0.2143" />
+  <C value="-1258" />
+  <D value="429500" />
+  <Tmin units="K"  value="420" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.093346" />
+  <B value="-80.091" />
+  <C value="-1.095" />
+  <D value="-0.0026037" />
+  <E value="2.0771E-07" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="422.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29053.13" />
+  <B value="34.51315" />
+  <C value="-0.00987307" />
+  <D value="-7.237807E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="27.248" />
+  <B value="5290" />
+  <C value="42.102" />
+  <Tmin units="K"  value="264.04" />
+  <Tmax units="K"  value="386.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-8.1207" />
+  <B value="0.013877" />
+  <C value="-0.000042964" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0945914" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665358E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="148.6014" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.76" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.9491" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0129" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46976" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.86339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0317854" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.053395" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.1308" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.29742" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.851088" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="33494.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0317854" />
+<CAS name="CAS number"  value="10102-44-0" />
+<Smiles name="SMILES"  value="O=[N]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="905" />
+<CompoundID name="Name"  value="Nitrogen" />
+<StructureFormula name="Structure"  value="N2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="126.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3398000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0901" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.289" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="77.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="63.149" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="63.149" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="12520" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.014" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03484" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.037" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.471E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="9082" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0158" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="191500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="720000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.54268" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="37.87" />
+  <B value="-0.06027" />
+  <Tmin units="K"  value="20.65" />
+  <Tmax units="K"  value="63.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.435" />
+  <B value="0.25137" />
+  <C value="126.27" />
+  <D value="0.249" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.32946" />
+  <B value="-965.9771" />
+  <C value="-4.321774" />
+  <D value="0.0000797271" />
+  <E value="2" />
+  <Tmin units="K"  value="60.81" />
+  <Tmax units="K"  value="126.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7284E+07" />
+  <B value="7.8021" />
+  <C value="-19.125" />
+  <D value="19.518" />
+  <E value="-7.5428" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="383890" />
+  <B value="-28798" />
+  <C value="875.74" />
+  <D value="-11.589" />
+  <E value="0.057106" />
+  <Tmin units="K"  value="32.8" />
+  <Tmax units="K"  value="63" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55135" />
+  <B value="217.45" />
+  <C value="-0.9071" />
+  <D value="0.05327" />
+  <E value="0.00024166" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="115" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29103.63" />
+  <B value="-2305.946" />
+  <C value="11.31935" />
+  <D value="-0.00100557" />
+  <E value="1.706099E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043512" />
+  <B value="-13.524" />
+  <C value="-0.091223" />
+  <D value="0.10229" />
+  <E value="-0.078721" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="1400" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="3.4358" />
+  <B value="-24.706" />
+  <C value="-2.6748" />
+  <D value="-0.000041603" />
+  <E value="2" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="125" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6051E-07" />
+  <B value="0.65049" />
+  <C value="5.8019" />
+  <D value="2822.7" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="1970" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21743" />
+  <B value="10.383" />
+  <C value="-1.0631" />
+  <D value="0.00036245" />
+  <E value="-0.000023265" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="124" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003395" />
+  <B value="0.76921" />
+  <C value="19.592" />
+  <D value="293.93" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0025409" />
+  <B value="96.836" />
+  <C value="-7.6473" />
+  <D value="0.05313" />
+  <E value="-0.00036553" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29425" />
+  <B value="-2.1701" />
+  <C value="0.00058201" />
+  <D value="0.000013054" />
+  <E value="-8.2313E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.00058" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.455" />
+  <B value="682.85" />
+  <C value="-0.86615" />
+  <Tmin units="K"  value="76" />
+  <Tmax units="K"  value="112.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.5907" />
+  <B value="-0.045786" />
+  <C value="0.000062538" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="125" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0901499" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.710301E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="94.45061" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2906" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0107" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806374" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0357998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0346723" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.0415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.088" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011016" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.045" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="9081.94" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0346723" />
+<GCmethod name="PPR78" >
+  <group id="13"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="209"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7727-37-9" />
+<Smiles name="SMILES"  value="N#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="899" />
+<CompoundID name="Name"  value="Nitrous oxide" />
+<StructureFormula name="Structure"  value="NON" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="309.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7255000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.097" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="184.67" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="87850" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.013" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0359" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.162" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.537E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="8275" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0189" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.12637E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.205E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.0416E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="219850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6539000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.72733" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.20482E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="36.489" />
+  <B value="-3.8239E-08" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="87.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.0978" />
+  <B value="0.2338" />
+  <C value="309.6" />
+  <D value="0.25899" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="309.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.69662" />
+  <B value="-2836.473" />
+  <C value="-4.609937" />
+  <D value="7.237315E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="179.17" />
+  <Tmax units="K"  value="309.57" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.585559E+07" />
+  <B value="0.982629" />
+  <C value="-2.292314" />
+  <D value="3.369827" />
+  <E value="-1.65657" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="309.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15429" />
+  <B value="1311.3" />
+  <C value="-11.544" />
+  <D value="0.047904" />
+  <E value="-0.000064108" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72525" />
+  <B value="232.93" />
+  <C value="2.2666" />
+  <D value="0.037329" />
+  <E value="-0.000055304" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="200" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28650" />
+  <B value="-400.03" />
+  <C value="10.5" />
+  <D value="0.00014292" />
+  <E value="-6.728E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043828" />
+  <B value="-34.614" />
+  <C value="-1.5496" />
+  <D value="-7.0657" />
+  <E value="0.77444" />
+  <Tmin units="K"  value="154.79" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.876" />
+  <B value="472.99" />
+  <C value="0.14659" />
+  <D value="-0.000013815" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="283.09" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020512" />
+  <B value="0.47044" />
+  <C value="305.02" />
+  <D value="-521.81" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10112" />
+  <B value="-5274.1" />
+  <C value="16.778" />
+  <D value="-0.037729" />
+  <E value="-0.000048678" />
+  <Tmin units="K"  value="277.59" />
+  <Tmax units="K"  value="287.09" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.001121" />
+  <B value="0.66298" />
+  <C value="524.68" />
+  <D value="7332.7" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012364" />
+  <B value="-124.21" />
+  <C value="-1.4299" />
+  <D value="-0.0041148" />
+  <E value="-0.000013653" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="309.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26315" />
+  <B value="28.278" />
+  <C value="0.08223" />
+  <D value="-0.00015631" />
+  <E value="7.3999E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.613" />
+  <B value="1311.9" />
+  <C value="-40.474" />
+  <Tmin units="K"  value="187.55" />
+  <Tmax units="K"  value="276.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4961" />
+  <B value="-0.022349" />
+  <C value="0.000016718" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="283.09" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0979999" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.071681E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="188.7555" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="35.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64292" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0142" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81688" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1691" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.036002" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.238" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.2442" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.9128" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.140894" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20308" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.036002" />
+<CAS name="CAS number"  value="10024-97-2" />
+<Smiles name="SMILES"  value="[O-][N+]#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="901" />
+<CompoundID name="Name"  value="Oxygen" />
+<StructureFormula name="Structure"  value="O2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="154.58" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5043000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07337" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="90.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="54.361" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="54.361" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="150" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="31.999" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.022" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.8E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="8182" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.013" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.35E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="205043" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="444000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.51298" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="44.552" />
+  <B value="-4.4857E-08" />
+  <Tmin units="K"  value="20.65" />
+  <Tmax units="K"  value="30.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6097" />
+  <B value="0.23614" />
+  <C value="154.78" />
+  <D value="0.23695" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.77" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="40.55487" />
+  <B value="-1120.543" />
+  <C value="-3.776114" />
+  <D value="0.0000485344" />
+  <E value="2" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0672E+07" />
+  <B value="1.5661" />
+  <C value="-3.4356" />
+  <D value="3.5416" />
+  <E value="-1.2718" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="154.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15381" />
+  <B value="1601.9" />
+  <C value="-10.968" />
+  <D value="0.24187" />
+  <E value="-0.0020734" />
+  <Tmin units="K"  value="13.46" />
+  <Tmax units="K"  value="43.78" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53393" />
+  <B value="-1966.4" />
+  <C value="48.21" />
+  <D value="-0.31631" />
+  <E value="0.0010466" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="145" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29061.62" />
+  <B value="-1470.897" />
+  <C value="11.10778" />
+  <D value="-0.00128484" />
+  <E value="3.183122E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.039522" />
+  <B value="-15.729" />
+  <C value="-0.082121" />
+  <D value="0.012408" />
+  <E value="-0.0087531" />
+  <Tmin units="K"  value="77.29" />
+  <Tmax units="K"  value="1200" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.2319" />
+  <B value="116.13" />
+  <C value="-1.0315" />
+  <D value="0.0000034376" />
+  <E value="2" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0134E-07" />
+  <B value="0.60321" />
+  <C value="56.09" />
+  <D value="1584.9" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="1950" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19654" />
+  <B value="-10.535" />
+  <C value="-0.46717" />
+  <D value="-0.0052064" />
+  <E value="-3.3418E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="150" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0004508" />
+  <B value="0.74544" />
+  <C value="58.278" />
+  <D value="-562.62" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0062662" />
+  <B value="17.53" />
+  <C value="-3.9173" />
+  <D value="0.0058473" />
+  <E value="-0.000091613" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30182" />
+  <B value="-14.916" />
+  <C value="0.054709" />
+  <D value="-0.00004997" />
+  <E value="1.4883E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000494" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.836" />
+  <B value="842.12" />
+  <C value="0.35556" />
+  <Tmin units="K"  value="92.87" />
+  <Tmax units="K"  value="138.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.5492" />
+  <B value="-0.061584" />
+  <C value="0.00019142" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0737899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.479206E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="114.2561" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2908" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00953" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.13768" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0297998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0280225" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.857" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.94" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.019" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="8181.93" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0280225" />
+<GCmethod name="PPR78" >
+  <group id="26"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="210"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-44-7" />
+<Smiles name="SMILES"  value="O=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="910" />
+<CompoundID name="Name"  value="Sulfur dioxide" />
+<StructureFormula name="Structure"  value="OSO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="430.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7884100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.122" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="263.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1674.39" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="64.0638" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04688" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245381" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02573" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.03E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.9684E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.0012E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="248100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7401000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86399" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="32.096" />
+  <B value="-0.018032" />
+  <Tmin units="K"  value="79.07" />
+  <Tmax units="K"  value="197.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8477" />
+  <B value="0.24254" />
+  <C value="430.75" />
+  <D value="0.27051" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.52766" />
+  <B value="-4260.124" />
+  <C value="-4.670429" />
+  <D value="0.0000030272" />
+  <E value="2" />
+  <Tmin units="K"  value="195.12" />
+  <Tmax units="K"  value="430.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8914E+07" />
+  <B value="1.8091" />
+  <C value="-2.9053" />
+  <D value="2.2271" />
+  <E value="-0.64793" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22618" />
+  <B value="1707.9" />
+  <C value="-16.235" />
+  <D value="0.074564" />
+  <E value="-0.00012295" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="197.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86911" />
+  <B value="53691" />
+  <C value="-599.94" />
+  <D value="2.2025" />
+  <E value="-0.0025885" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33406" />
+  <B value="-516.38" />
+  <C value="10.524" />
+  <D value="0.000013143" />
+  <E value="-6.1535E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.06722" />
+  <B value="-59.185" />
+  <C value="-7.1935" />
+  <D value="-46.116" />
+  <E value="-332.32" />
+  <Tmin units="K"  value="215.4" />
+  <Tmax units="K"  value="1723.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="50.887" />
+  <B value="-1574" />
+  <C value="-9.4517" />
+  <D value="1.5898E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012144" />
+  <B value="0.53923" />
+  <C value="315.41" />
+  <D value="-2659.7" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="1250" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21664" />
+  <B value="-2.2484" />
+  <C value="-0.50659" />
+  <D value="-0.0009424" />
+  <E value="-0.0000010218" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="23.316" />
+  <B value="-0.95324" />
+  <C value="-1567.4" />
+  <D value="1330100" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="900" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011604" />
+  <B value="175.94" />
+  <C value="-4.6965" />
+  <D value="0.008615" />
+  <E value="-0.000020963" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29454" />
+  <B value="40.762" />
+  <C value="-0.015859" />
+  <D value="0.0000004275" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.87311" />
+  <B value="-7500" />
+  <C value="-45" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.673" />
+  <B value="2268.2" />
+  <C value="-39.619" />
+  <Tmin units="K"  value="259.01" />
+  <Tmax units="K"  value="381.68" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4294" />
+  <B value="-0.011984" />
+  <C value="-0.0000026289" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12522" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.04E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.8" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27539" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0181" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.39556" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.256" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0438228" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.6961" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1906" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2462" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12272.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0438228" />
+<GCmethod name="PPR78" >
+  <group id="25"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="216"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7446-09-5" />
+<Smiles name="SMILES"  value="O=[S]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="911" />
+<CompoundID name="Name"  value="Sulfur trioxide" />
+<StructureFormula name="Structure"  value="SO3" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="490.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.127" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="317.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="289.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21130" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="80.0632" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0420954" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.42396" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.189E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="31130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03254" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93094E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.9572E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.7095E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="256510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7532000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1122" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1.422E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.604" />
+  <B value="2.2061E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="182.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.6186" />
+  <B value="0.20129" />
+  <C value="490.85" />
+  <D value="0.42123" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="490.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="351.6001" />
+  <B value="-18247.39" />
+  <C value="-49.77065" />
+  <D value="0.0000409297" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="490.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.1339E+07" />
+  <B value="0.77728" />
+  <C value="-0.42427" />
+  <D value="0.68287" />
+  <E value="-0.4608" />
+  <Tmin units="K"  value="289.94" />
+  <Tmax units="K"  value="490.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="136.4" />
+  <B value="10046" />
+  <C value="-51.148" />
+  <D value="0.11574" />
+  <E value="-0.000098203" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="299.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="258090" />
+  <B value="-3271.8" />
+  <C value="-8.4929" />
+  <D value="0.0035868" />
+  <E value="-0.000028801" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="312.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32986" />
+  <B value="-404.97" />
+  <C value="11.171" />
+  <D value="-0.000087925" />
+  <E value="-8.9809E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.085136" />
+  <B value="-80.336" />
+  <C value="-11.216" />
+  <D value="-300.69" />
+  <E value="-904.24" />
+  <Tmin units="K"  value="245.4" />
+  <Tmax units="K"  value="1785.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-260.71" />
+  <B value="11505" />
+  <C value="38.839" />
+  <D value="-0.000061621" />
+  <E value="2" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="329.14" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010033" />
+  <B value="0.54515" />
+  <C value="135.63" />
+  <D value="19402" />
+  <Tmin units="K"  value="198.15" />
+  <Tmax units="K"  value="694.19" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.021077" />
+  <B value="585.52" />
+  <C value="-5.8227" />
+  <D value="0.016099" />
+  <E value="-0.000027318" />
+  <Tmin units="K"  value="282.51" />
+  <Tmax units="K"  value="481.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.1717" />
+  <B value="-0.2465" />
+  <C value="2002.7" />
+  <D value="1327100" />
+  <Tmin units="K"  value="317.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010614" />
+  <B value="342.37" />
+  <C value="-5.975" />
+  <D value="0.012246" />
+  <E value="-0.000021992" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="490.85" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24221" />
+  <B value="110.09" />
+  <C value="-0.076359" />
+  <D value="0.000018362" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.750077" />
+  <B value="-1800" />
+  <C value="-10.8" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.098" />
+  <B value="1473.6" />
+  <C value="-145.67" />
+  <Tmin units="K"  value="297.45" />
+  <Tmax units="K"  value="437.98" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="13.354" />
+  <B value="-0.096392" />
+  <C value="0.00010215" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="329.14" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12556" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.834275E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="234.1028" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.5483" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0183" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.88018" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42396" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0420954" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.145023" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.972376" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="14.303" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42396" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="31130" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0420954" />
+<CAS name="CAS number"  value="7446-11-9" />
+<Smiles name="SMILES"  value="O=S(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1521" />
+<CompoundID name="Name"  value="Chloroform" />
+<StructureFormula name="Structure"  value="CHCl3" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.24" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.296" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="334.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="68.1479" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="119.377" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08068" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.226" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.249E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0435" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.03E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.029E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.01E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80821" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.968" />
+  <B value="-0.0028604" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="209.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53556" />
+  <B value="0.18404" />
+  <C value="536.5" />
+  <D value="0.18541" />
+  <Tmin units="K"  value="209" />
+  <Tmax units="K"  value="535.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.91512" />
+  <B value="-6781.559" />
+  <C value="-11.93873" />
+  <D value="0.0000115883" />
+  <E value="2" />
+  <Tmin units="K"  value="207.15" />
+  <Tmax units="K"  value="536.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1382E+07" />
+  <B value="0.7027" />
+  <C value="0.36748" />
+  <D value="-1.351" />
+  <E value="0.69236" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="536.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="92520" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93132" />
+  <B value="645.44" />
+  <C value="2.3739" />
+  <D value="0.024457" />
+  <E value="-0.000021097" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36659" />
+  <B value="-308.1" />
+  <C value="11.299" />
+  <D value="0.00003137" />
+  <E value="-3.3538E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13849" />
+  <B value="-177.09" />
+  <C value="-16.939" />
+  <D value="-624.1" />
+  <E value="-99.389" />
+  <Tmin units="K"  value="252" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.923" />
+  <B value="1248.9" />
+  <C value="1.655" />
+  <D value="-0.0000024787" />
+  <E value="2" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="353.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8024E-07" />
+  <B value="0.76204" />
+  <C value="109.36" />
+  <D value="-1373.9" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061417" />
+  <B value="-66.692" />
+  <C value="-1.6802" />
+  <D value="-0.001962" />
+  <E value="-0.0000044192" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00041167" />
+  <B value="0.84476" />
+  <C value="1870.6" />
+  <D value="-7829.5" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012805" />
+  <B value="80.496" />
+  <C value="-3.4786" />
+  <D value="0.0022559" />
+  <E value="-0.0000078228" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="536.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="19863" />
+  <B value="217.99" />
+  <C value="-0.26149" />
+  <D value="0.0001544" />
+  <E value="-3.517E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.214982" />
+  <B value="-2750" />
+  <C value="-16.5" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.534" />
+  <B value="3077.4" />
+  <C value="-26.818" />
+  <Tmin units="K"  value="322.04" />
+  <Tmax units="K"  value="480.55" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.33836" />
+  <B value="-0.03791" />
+  <C value="0.000046198" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="353.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22663" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.31E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="355" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="81.21" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02138" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0326" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.49815" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21796" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0805048" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.34" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.34" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.0529" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2059" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18919.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0805048" />
+<UnifacVLE name="UNIFAC" >
+  <group id="51"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="37"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="39"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="51"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="51"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="50"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-66-3" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1771" />
+<CompoundID name="Name"  value="Hydrogen cyanide" />
+<StructureFormula name="Structure"  value="HCN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="456.65" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5390000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.139" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.197" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="298.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="259.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="259.833" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18625" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="27.0253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0397695" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.409913" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.539E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01813" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.0245E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.35143E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.24725E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="201719" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8405700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.62716" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2329E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="38.186" />
+  <B value="-2.0999E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3163" />
+  <B value="0.18425" />
+  <C value="456.65" />
+  <D value="0.2794" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="456.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.70101" />
+  <B value="-4001.496" />
+  <C value="-3.208729" />
+  <D value="5.620619E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="254.07" />
+  <Tmax units="K"  value="456.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5225E+07" />
+  <B value="2.0549" />
+  <C value="-4.7432" />
+  <D value="4.7996" />
+  <E value="-1.8366" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="456.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11133" />
+  <B value="756.41" />
+  <C value="-4.0631" />
+  <D value="0.010136" />
+  <E value="-0.0000055005" />
+  <Tmin units="K"  value="21.69" />
+  <Tmax units="K"  value="254.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70227" />
+  <B value="-10279" />
+  <C value="42.028" />
+  <D value="0.069085" />
+  <E value="-0.00024154" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29289" />
+  <B value="-482.84" />
+  <C value="10.404" />
+  <D value="-0.000041659" />
+  <E value="6.8553E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.056002" />
+  <B value="60.388" />
+  <C value="-41.174" />
+  <D value="14505" />
+  <E value="-43335" />
+  <Tmin units="K"  value="228.4" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.545" />
+  <B value="843.5" />
+  <C value="0.21344" />
+  <D value="-0.0000012673" />
+  <E value="2" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2749E-08" />
+  <B value="1.0633" />
+  <C value="338.59" />
+  <D value="155.3" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="425" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06901" />
+  <B value="-183.38" />
+  <C value="0.87895" />
+  <D value="-0.0078031" />
+  <E value="0.000002353" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015837" />
+  <B value="1.2055" />
+  <C value="-98.566" />
+  <D value="53091" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="673.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.058853" />
+  <B value="3.1548" />
+  <C value="-2.2488" />
+  <D value="-0.00076117" />
+  <E value="-0.000001168" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="456.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24466" />
+  <B value="45.315" />
+  <C value="-0.025383" />
+  <D value="0.0000059361" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="1.78" />
+  <B value="30000" />
+  <C value="-1" />
+  <D value="0" />
+  <E value="70" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.862" />
+  <B value="3439.7" />
+  <C value="4.5325" />
+  <Tmin units="K"  value="277.18" />
+  <Tmax units="K"  value="408.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.6579" />
+  <B value="-0.030475" />
+  <C value="0.000035226" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0964163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.790323E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="86.01517" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="22.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-5.00731" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0145" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.693958" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.409913" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0397695" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1951" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.2098" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="10.34189" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.409913" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24806" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0397695" />
+<Umr name="UMR" >
+  <group id="221"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="74-90-8" />
+<Smiles name="SMILES"  value="C#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1001" />
+<CompoundID name="Name"  value="Formaldehyde" />
+<StructureFormula name="Structure"  value="HCHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="408" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.115" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.223" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="254.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="887" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.026" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04097" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281846" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.215E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0186" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.086E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.026E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="218660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7050000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86009" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.268E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="39.262" />
+  <B value="-0.024084" />
+  <Tmin units="K"  value="72.46" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.9413" />
+  <B value="0.22308" />
+  <C value="408" />
+  <D value="0.28569" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.07923" />
+  <B value="-4207.675" />
+  <C value="-6.202287" />
+  <D value="5.521233E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="163.7" />
+  <Tmax units="K"  value="408" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0902E+07" />
+  <B value="0.29722" />
+  <C value="-0.051281" />
+  <D value="0.13234" />
+  <E value="-0.080686" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="39430" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62716" />
+  <B value="-69.453" />
+  <C value="3.2871" />
+  <D value="0.047782" />
+  <E value="-0.0001008" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="304" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33216.06" />
+  <B value="-1212.62" />
+  <C value="11.96032" />
+  <D value="-0.000635943" />
+  <E value="1.549232E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.084764" />
+  <B value="-73.106" />
+  <C value="-5.8267" />
+  <D value="281.42" />
+  <E value="-763.84" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.303" />
+  <B value="753.06" />
+  <C value="-0.013733" />
+  <D value="-4.6837E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="254.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1997E-07" />
+  <B value="0.57256" />
+  <C value="258.17" />
+  <D value="-5091" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10999" />
+  <B value="-161.62" />
+  <C value="0.83463" />
+  <D value="-0.01142" />
+  <E value="0.0000060772" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="234" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="44.841" />
+  <B value="-0.71285" />
+  <C value="-3466.2" />
+  <D value="5262100" />
+  <Tmin units="K"  value="254.05" />
+  <Tmax units="K"  value="994.05" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016101" />
+  <B value="136.53" />
+  <C value="-3.7004" />
+  <D value="0.0067657" />
+  <E value="-0.000021523" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="26385.98" />
+  <B value="18.47571" />
+  <C value="0.0478984" />
+  <D value="-0.000030852" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.331" />
+  <B value="2684.7" />
+  <C value="-5.509" />
+  <Tmin units="K"  value="244.9" />
+  <Tmax units="K"  value="360.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.78709" />
+  <B value="-0.049255" />
+  <C value="0.000075747" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="254.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.10819" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.493448E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="120.0801" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="26.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0168" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.752445" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26559" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0369129" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9183" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.78" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23824.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0369129" />
+<UnifacVLE name="UNIFAC" >
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="21"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="26"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="50-00-0" />
+<Smiles name="SMILES"  value="C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1502" />
+<CompoundID name="Name"  value="Methyl chloride" />
+<StructureFormula name="Structure"  value="CH3Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="416.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.143" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="248.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="867.6" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="50.488" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05059" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.151" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.442E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17320" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02529" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.92E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.196E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.844E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="234180" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6548000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.72126" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.7538E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.768" />
+  <B value="-8.4567E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="182.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.6672" />
+  <B value="0.24865" />
+  <C value="416.26" />
+  <D value="0.26843" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="416.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.95113" />
+  <B value="-4332.347" />
+  <C value="-8.308415" />
+  <D value="0.0000132119" />
+  <E value="2" />
+  <Tmin units="K"  value="173.65" />
+  <Tmax units="K"  value="416.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0406E+07" />
+  <B value="0.41721" />
+  <C value="-0.045158" />
+  <D value="-0.067629" />
+  <E value="0.055437" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="403.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13360" />
+  <B value="1161" />
+  <C value="-7.5627" />
+  <D value="0.02419" />
+  <E value="-0.000020195" />
+  <Tmin units="K"  value="21.27" />
+  <Tmax units="K"  value="174.01" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72914" />
+  <B value="778.6" />
+  <C value="-9.5627" />
+  <D value="0.081286" />
+  <E value="-0.000092921" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32790.34" />
+  <B value="-743.4513" />
+  <C value="11.51178" />
+  <D value="-0.0000302967" />
+  <E value="1.138778E-09" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.093165" />
+  <B value="-83.56" />
+  <C value="-5.5445" />
+  <D value="-44.171" />
+  <E value="-96.437" />
+  <Tmin units="K"  value="208.12" />
+  <Tmax units="K"  value="1665" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-60.189" />
+  <B value="2252.1" />
+  <C value="8.022" />
+  <D value="-0.000019477" />
+  <E value="2" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5916E-08" />
+  <B value="0.87071" />
+  <C value="35.619" />
+  <D value="35.603" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="700" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22503" />
+  <B value="12.649" />
+  <C value="-0.64685" />
+  <D value="-0.0003032" />
+  <E value="-0.0000029812" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-22144" />
+  <B value="0.7661" />
+  <C value="-4.8548E+10" />
+  <D value="-3.7839E+10" />
+  <Tmin units="K"  value="213.15" />
+  <Tmax units="K"  value="750" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0076213" />
+  <B value="308.98" />
+  <C value="-6.5963" />
+  <D value="0.015546" />
+  <E value="-0.000032087" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="403.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29749" />
+  <B value="-14.55" />
+  <C value="0.25534" />
+  <D value="-0.0003088" />
+  <E value="1.1707E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-14.43039" />
+  <B value="-9354.477" />
+  <C value="95.04079" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="416" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.62" />
+  <B value="2413.2" />
+  <C value="-9.7185" />
+  <Tmin units="K"  value="250.13" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.7183" />
+  <B value="-0.027855" />
+  <C value="0.000026626" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13628" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.94E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="414" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="43.83" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.00835" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0197" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.915" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1472" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0501264" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.667106" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.568" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.20828" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.153068" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19719.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0501264" />
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="74-87-3" />
+<Smiles name="SMILES"  value="C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1681" />
+<CompoundID name="Name"  value="Methyl iodide" />
+<StructureFormula name="Structure"  value="CH3I" />
+<Family name="Family"  value="31" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="528" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7370000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.185" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.311" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="315.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="254.555" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="141.939" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.062667" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.19716" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03285" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.6E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.3E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.47E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="254000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.70016" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.096E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="22.404" />
+  <B value="-0.011982" />
+  <Tmin units="K"  value="82.68" />
+  <Tmax units="K"  value="206.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3975" />
+  <B value="0.25854" />
+  <C value="528" />
+  <D value="0.2679" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.57754" />
+  <B value="-4804.529" />
+  <C value="-5.238128" />
+  <D value="3.097144E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="204.8" />
+  <Tmax units="K"  value="528" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3737E+07" />
+  <B value="-0.25822" />
+  <C value="1.7219" />
+  <D value="-2.0034" />
+  <E value="0.83642" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="58860" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81227" />
+  <B value="-510450" />
+  <C value="4831.2" />
+  <D value="-15.234" />
+  <E value="0.016088" />
+  <Tmin units="K"  value="243.45" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33243" />
+  <B value="-588.89" />
+  <C value="11.23" />
+  <D value="0.00016737" />
+  <E value="-5.0885E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.091986" />
+  <B value="-122.96" />
+  <C value="-8.7523" />
+  <D value="-736.97" />
+  <E value="-492.42" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.0691" />
+  <B value="650.82" />
+  <C value="-0.30881" />
+  <D value="-1.1201E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.1469E-07" />
+  <B value="0.6322" />
+  <C value="292.39" />
+  <D value="-1664.7" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.025022" />
+  <B value="-2.7147" />
+  <C value="-2.1673" />
+  <D value="-0.0005511" />
+  <E value="-0.000004231" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.15913" />
+  <B value="0.010769" />
+  <C value="1577.4" />
+  <D value="2109400" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0089542" />
+  <B value="133.23" />
+  <C value="-3.9845" />
+  <D value="0.0046929" />
+  <E value="-0.000012515" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14904.66" />
+  <B value="117.0558" />
+  <C value="-0.0691448" />
+  <D value="0.0000175067" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.958672" />
+  <B value="-3550" />
+  <C value="-21.3" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.002" />
+  <B value="3357.9" />
+  <C value="5.1859" />
+  <Tmin units="K"  value="317.11" />
+  <Tmax units="K"  value="460.36" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7257" />
+  <B value="-0.031602" />
+  <C value="0.000039256" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.174097" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.318402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="514.6174" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="52.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.026" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.29293" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.192721" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.062667" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1651" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.84" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192721" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20172.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.062667" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="64"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="64"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="63"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-88-4" />
+<Smiles name="SMILES"  value="CI" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1" />
+<CompoundID name="Name"  value="Methane" />
+<StructureFormula name="Structure"  value="CH4" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="190.56" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4599000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0986" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="111.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="90.694" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="90.694" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="11696" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="16.043" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03554" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.011" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.118E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="11600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01705" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.452E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.049E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="186270" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="941400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.49258" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.0262E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="33.457" />
+  <B value="-0.033547" />
+  <C value="-0.000155" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="90.69" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.894" />
+  <B value="0.23603" />
+  <C value="191.05" />
+  <D value="0.21974" />
+  <Tmin units="K"  value="90.68" />
+  <Tmax units="K"  value="191.04" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="39.98844" />
+  <B value="-1337.308" />
+  <C value="-3.580049" />
+  <D value="0.0000320698" />
+  <E value="2" />
+  <Tmin units="K"  value="83.65" />
+  <Tmax units="K"  value="191.03" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4418E+07" />
+  <B value="2.3055" />
+  <C value="-5.4199" />
+  <D value="5.658" />
+  <E value="-2.1286" />
+  <Tmin units="K"  value="90.67" />
+  <Tmax units="K"  value="190.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3039.8" />
+  <B value="1292.4" />
+  <C value="-15.448" />
+  <D value="0.082442" />
+  <E value="-0.000070636" />
+  <Tmin units="K"  value="22.85" />
+  <Tmax units="K"  value="90.67" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61157" />
+  <B value="5034.1" />
+  <C value="-48.913" />
+  <D value="-0.22998" />
+  <E value="0.0022243" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="190" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33151.9" />
+  <B value="-1220.001" />
+  <C value="12.0907" />
+  <D value="-0.000384791" />
+  <E value="9.896403E-08" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.051983" />
+  <B value="-25.636" />
+  <C value="-0.24722" />
+  <D value="0.42759" />
+  <E value="-0.39805" />
+  <Tmin units="K"  value="102" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-45.328" />
+  <B value="724.39" />
+  <C value="6.5917" />
+  <D value="-0.00010373" />
+  <E value="2" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="190" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.3432E-07" />
+  <B value="0.58831" />
+  <C value="114.58" />
+  <D value="-1338.5" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011567" />
+  <B value="-46.041" />
+  <C value="0.10435" />
+  <D value="-0.012133" />
+  <E value="-0.0000051716" />
+  <Tmin units="K"  value="90.69" />
+  <Tmax units="K"  value="180" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000074705" />
+  <B value="1.4432" />
+  <C value="-57.569" />
+  <D value="587.82" />
+  <Tmin units="K"  value="111.63" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040703" />
+  <B value="-6.9523" />
+  <C value="-2.3114" />
+  <D value="-0.0055565" />
+  <E value="0.0000057595" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="193.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37981" />
+  <B value="-74.622" />
+  <C value="0.3019" />
+  <D value="-0.00028327" />
+  <E value="9.0711E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.274133" />
+  <B value="-850" />
+  <C value="-5.1" />
+  <Tmin units="K"  value="80.81667" />
+  <Tmax units="K"  value="250.8167" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.701" />
+  <B value="1035" />
+  <C value="1.2704" />
+  <Tmin units="K"  value="114.61" />
+  <Tmax units="K"  value="170.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.4555" />
+  <B value="-0.023994" />
+  <C value="0.000010045" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="190" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.09939" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.871667E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="137.3608" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2876" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="25.14" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0129" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.299394" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0074" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0378392" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1239" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.152" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012223" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="11618.44" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0378392" />
+<GCmethod name="PPR78" >
+  <group id="5"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="224"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="74-82-8" />
+<Smiles name="SMILES"  value="C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1101" />
+<CompoundID name="Name"  value="Methanol" />
+<StructureFormula name="Structure"  value="CH3OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="512.64" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8097000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.224" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.47" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.47" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.111264" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="32.042" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04073" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.58E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0094E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.6232E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="239880" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3215000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4297" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.382E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="30.585" />
+  <B value="-2.2061E-08" />
+  <Tmin units="K"  value="163.15" />
+  <Tmax units="K"  value="172.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7918" />
+  <B value="0.23929" />
+  <C value="512.64" />
+  <D value="0.21078" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="503.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.40342" />
+  <B value="-6548.076" />
+  <C value="-7.409987" />
+  <D value="5.72492E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="512.64" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8058E+07" />
+  <B value="0.87168" />
+  <C value="-0.81501" />
+  <D value="0.1695" />
+  <E value="0.17846" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="513.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12206" />
+  <B value="921.15" />
+  <C value="-4.3764" />
+  <D value="0.0056638" />
+  <E value="0.000021471" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="157.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62799" />
+  <B value="1254.2" />
+  <C value="-5.9906" />
+  <D value="0.052937" />
+  <E value="-0.00004711" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36313.16" />
+  <B value="-680.4577" />
+  <C value="11.10203" />
+  <D value="0.000756766" />
+  <E value="-2.902645E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.027528" />
+  <B value="39.761" />
+  <C value="-31.725" />
+  <D value="22876" />
+  <E value="-87341" />
+  <Tmin units="K"  value="281.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-32.996" />
+  <B value="1981.4" />
+  <C value="3.3666" />
+  <D value="-0.0000039246" />
+  <E value="2" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="337.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0654E-07" />
+  <B value="0.69658" />
+  <C value="204.87" />
+  <D value="24.304" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.056817" />
+  <B value="13.156" />
+  <C value="-1.2214" />
+  <D value="-0.00028282" />
+  <E value="-0.0000010129" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="430" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="7.8368E-07" />
+  <B value="1.7569" />
+  <C value="108.12" />
+  <D value="-21101" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="684.37" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.094523" />
+  <B value="33.559" />
+  <C value="-2.3648" />
+  <D value="0.001011" />
+  <E value="-0.0000022169" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39194" />
+  <B value="-58.085" />
+  <C value="0.35012" />
+  <D value="-0.00036941" />
+  <E value="1.2763E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-22.6673" />
+  <B value="18938.42" />
+  <C value="-2.514938" />
+  <D value="0.0203925" />
+  <E value="0.976849" />
+  <Tmin units="K"  value="176" />
+  <Tmax units="K"  value="511" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.354" />
+  <B value="3555.3" />
+  <C value="-37.163" />
+  <Tmin units="K"  value="307.9" />
+  <Tmax units="K"  value="459.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="4.3964" />
+  <B value="-0.066775" />
+  <C value="0.00008964" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="337.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1198" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.69E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="417" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="31.25" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66558" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.794395" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5536" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0407027" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.43" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.43" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.96" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.828343" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.430885" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.12578" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.5589" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29546.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0407027" />
+<UnifacVLE name="UNIFAC" >
+  <group id="16"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="16"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="16"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="15"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-56-1" />
+<Smiles name="SMILES"  value="CO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1701" />
+<CompoundID name="Name"  value="Methylamine" />
+<StructureFormula name="Structure"  value="CH3NH2" />
+<Family name="Family"  value="34" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="430" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.125" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="179.69" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.69" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="176.712" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="31.057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.284" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.722E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02421" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.297E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.207E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6134000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89954" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.7508E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.369" />
+  <B value="-2.884E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.39" />
+  <B value="0.21405" />
+  <C value="430.05" />
+  <D value="0.2275" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.79969" />
+  <B value="-5067.174" />
+  <C value="-8.028002" />
+  <D value="7.988835E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.35" />
+  <Tmax units="K"  value="430.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6499E+07" />
+  <B value="1.6058" />
+  <C value="-3.2311" />
+  <D value="3.4082" />
+  <E value="-1.3345" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="416.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1635.5" />
+  <B value="-28.175" />
+  <C value="12.529" />
+  <D value="-0.11137" />
+  <E value="0.0002958" />
+  <Tmin units="K"  value="23.04" />
+  <Tmax units="K"  value="174.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90815" />
+  <B value="374.96" />
+  <C value="2.7431" />
+  <D value="0.031527" />
+  <E value="-0.000044978" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="266.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40540" />
+  <B value="-902.15" />
+  <C value="12.495" />
+  <D value="-0.00072761" />
+  <E value="0.0000002382" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.066821" />
+  <B value="-65.837" />
+  <C value="-8.5011" />
+  <D value="-94.417" />
+  <E value="-459.86" />
+  <Tmin units="K"  value="215" />
+  <Tmax units="K"  value="1720" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.645" />
+  <B value="448.12" />
+  <C value="-3.737" />
+  <D value="0.000017508" />
+  <E value="2" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="327.78" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4475E-07" />
+  <B value="0.58715" />
+  <C value="230.63" />
+  <D value="-2982.2" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.19876" />
+  <B value="9592" />
+  <C value="-137.2" />
+  <D value="0.62482" />
+  <E value="-0.00097954" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-51.979" />
+  <B value="1.0721" />
+  <C value="-4.4966E+08" />
+  <D value="4.2697E+09" />
+  <Tmin units="K"  value="266.82" />
+  <Tmax units="K"  value="650" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.020476" />
+  <B value="2.1889" />
+  <C value="-2.3303" />
+  <D value="-0.001444" />
+  <E value="-0.0000052886" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="416.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34863" />
+  <B value="-17.643" />
+  <C value="0.33582" />
+  <D value="-0.00039394" />
+  <E value="1.4559E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-14.41837" />
+  <B value="-9790.434" />
+  <C value="101.0628" />
+  <Tmin units="K"  value="198" />
+  <Tmax units="K"  value="430" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.666" />
+  <B value="2268.7" />
+  <C value="-43.059" />
+  <Tmin units="K"  value="258.75" />
+  <Tmax units="K"  value="379.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.21748" />
+  <B value="-0.052484" />
+  <C value="0.000076834" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="327.78" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12229" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.719782E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="216.9006" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="31.99" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02871" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0179" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.667434" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2872" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0447131" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.544" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.44308" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.281272" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23116" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0447131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="29"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="29"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="29"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="28"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-89-5" />
+<Smiles name="SMILES"  value="CN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1541" />
+<CompoundID name="Name"  value="Trichloroethylene" />
+<StructureFormula name="Structure"  value="CHClCCl2" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4910000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.256" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="360.1" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.4" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.4" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.97868" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="131.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0901371" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.21662" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.742E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04958" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9620000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.606E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="325090" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75258" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.6411E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.727" />
+  <B value="-0.0092769" />
+  <Tmin units="K"  value="75.36" />
+  <Tmax units="K"  value="188.4" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0632" />
+  <B value="0.27217" />
+  <C value="571" />
+  <D value="0.2986" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="46.56173" />
+  <B value="-5021.974" />
+  <C value="-3.675161" />
+  <D value="4.330407E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.571591E+07" />
+  <B value="0.581727" />
+  <C value="-0.122707" />
+  <D value="-0.842037" />
+  <E value="0.831632" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="103410" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111110" />
+  <B value="1042.6" />
+  <C value="-3.1013" />
+  <D value="0.043029" />
+  <E value="-0.000040867" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="419.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56305" />
+  <B value="-500.68" />
+  <C value="11.893" />
+  <D value="-0.00053611" />
+  <E value="1.6998E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33837" />
+  <B value="-460.93" />
+  <C value="26.414" />
+  <D value="-44206" />
+  <E value="82630" />
+  <Tmin units="K"  value="285.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.947" />
+  <B value="1157.4" />
+  <C value="0.95533" />
+  <D value="0.0000012051" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="360.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5903E-07" />
+  <B value="0.76088" />
+  <C value="56.852" />
+  <D value="7589.2" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.079767" />
+  <B value="522.46" />
+  <C value="-9.4979" />
+  <D value="0.032021" />
+  <E value="-0.00005769" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="419.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00050539" />
+  <B value="0.6741" />
+  <C value="584.61" />
+  <D value="3177.4" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024347" />
+  <B value="-50.763" />
+  <C value="-1.8584" />
+  <D value="-0.0029088" />
+  <E value="-3.9892E-07" />
+  <Tmin units="K"  value="175.84" />
+  <Tmax units="K"  value="571" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29417.29" />
+  <B value="228.8481" />
+  <C value="-0.218112" />
+  <D value="0.0000777596" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1100" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.691856" />
+  <B value="-1700" />
+  <C value="-10.2" />
+  <Tmin units="K"  value="270.2611" />
+  <Tmax units="K"  value="440.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.353" />
+  <B value="3169.3" />
+  <C value="-37.488" />
+  <Tmin units="K"  value="343.15" />
+  <Tmax units="K"  value="510.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.81036" />
+  <B value="-0.035482" />
+  <C value="0.000043558" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="360.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.263551" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.831272E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="312.7767" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.55295" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0371" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2456" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0901371" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.31" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.86" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.1391" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2456" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18796.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0901371" />
+<UnifacVLE name="UNIFAC" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="32"  value="1" />
+  <group id="36"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  <group id="35"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-01-6" />
+<Smiles name="SMILES"  value="C([Cl])=C([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1854" />
+<CompoundID name="Name"  value="Dichloroacetyl chloride" />
+<StructureFormula name="Structure"  value="CHCl2COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="585" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.283" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="380.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="27.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0969971" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.308927" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05458" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.61E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4033E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.915E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2647E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.9" />
+  <B value="-5.7788E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.94766" />
+  <B value="0.26857" />
+  <C value="585" />
+  <D value="0.28586" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.72886" />
+  <B value="-6808.875" />
+  <C value="-7.735182" />
+  <D value="4.475716E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.182114E+08" />
+  <B value="5.662305" />
+  <C value="-14.25375" />
+  <D value="15.19267" />
+  <E value="-6.032208" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140380" />
+  <B value="-122.15" />
+  <C value="7.1438" />
+  <D value="0.0089927" />
+  <E value="-3.0698E-07" />
+  <Tmin units="K"  value="292.5" />
+  <Tmax units="K"  value="438.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="54272" />
+  <B value="-346.01" />
+  <C value="11.744" />
+  <D value="-0.00014147" />
+  <E value="6.1056E-08" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1766" />
+  <B value="-214.27" />
+  <C value="-34.937" />
+  <D value="-11826" />
+  <E value="15252" />
+  <Tmin units="K"  value="292.5" />
+  <Tmax units="K"  value="1849.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.762" />
+  <B value="1691.3" />
+  <C value="-0.020172" />
+  <D value="2.8483E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4668E-07" />
+  <B value="0.7617" />
+  <C value="110.57" />
+  <D value="-0.0060267" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.045516" />
+  <B value="-168.82" />
+  <C value="-0.6335" />
+  <D value="-0.0052944" />
+  <E value="0.0000014358" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00049754" />
+  <B value="0.6638" />
+  <C value="622.43" />
+  <D value="-0.0085753" />
+  <Tmin units="K"  value="380.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011582" />
+  <B value="124.7" />
+  <C value="-3.6985" />
+  <D value="0.0034242" />
+  <E value="-0.0000087498" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="45446" />
+  <B value="201.42" />
+  <C value="-0.15256" />
+  <D value="0.000042512" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.845" />
+  <B value="3559.7" />
+  <C value="-36.056" />
+  <Tmin units="K"  value="360.79" />
+  <Tmax units="K"  value="515.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="5.3427" />
+  <B value="-0.057555" />
+  <C value="0.000063183" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.290781" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.948562E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.6986" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.5348" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.370509" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.097018" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.597891" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.044" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.370509" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19942.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.097018" />
+<CAS name="CAS number"  value="79-36-7" />
+<Smiles name="SMILES"  value="ClC(Cl)C(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4865" />
+<CompoundID name="Name"  value="Trichloroacetaldehyde" />
+<StructureFormula name="Structure"  value="CCl3CHO" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.133" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0983111" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.332334" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.649E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05519" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.83E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.97E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.48E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.72E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.036" />
+  <B value="-0.0072767" />
+  <Tmin units="K"  value="86.4" />
+  <Tmax units="K"  value="216" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.92352" />
+  <B value="0.2658" />
+  <C value="565" />
+  <D value="0.27915" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.1738" />
+  <B value="-7649.009" />
+  <C value="-12.42192" />
+  <D value="0.0000106892" />
+  <E value="2" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2611E+07" />
+  <B value="1.7765" />
+  <C value="-3.981" />
+  <D value="4.442" />
+  <E value="-1.8138" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141170" />
+  <B value="-5.956" />
+  <C value="6.555" />
+  <D value="0.014383" />
+  <E value="-0.000012896" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="422.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75534" />
+  <B value="-497.17" />
+  <C value="11.711" />
+  <D value="-0.00021306" />
+  <E value="5.7567E-08" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17202" />
+  <B value="-198.18" />
+  <C value="-54.361" />
+  <D value="1512" />
+  <E value="-47122" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.452" />
+  <B value="1500.4" />
+  <C value="0.62119" />
+  <D value="1.0267E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9624E-07" />
+  <B value="0.76217" />
+  <C value="181.59" />
+  <D value="-7289.4" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0058147" />
+  <B value="-49.103" />
+  <C value="-1.1431" />
+  <D value="-0.0024848" />
+  <E value="-2.7456E-08" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00037396" />
+  <B value="0.73494" />
+  <C value="540.31" />
+  <D value="2896.6" />
+  <Tmin units="K"  value="370.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010804" />
+  <B value="115.62" />
+  <C value="-3.806" />
+  <D value="0.0033787" />
+  <E value="-0.0000089296" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="51330" />
+  <B value="196.28" />
+  <C value="-0.15434" />
+  <D value="0.000045652" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.369" />
+  <B value="3131.8" />
+  <C value="-52.731" />
+  <Tmin units="K"  value="344.58" />
+  <Tmax units="K"  value="495.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.5668" />
+  <B value="-0.047882" />
+  <C value="0.00005446" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.294123" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.930245E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.033" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261398" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0408" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.515" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.332283" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0983111" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.638102" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.132" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.332283" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19153.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0983111" />
+<CAS name="CAS number"  value="75-87-6" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])([Cl])C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="401" />
+<CompoundID name="Name"  value="Acetylene" />
+<StructureFormula name="Structure"  value="HCCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="308.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6114000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1122" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="188.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.4" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.4" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="127445" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="26.038" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.439E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="7921" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0231" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.282E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.1068E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="200810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3770000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76366" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.257E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.036" />
+  <B value="-1.6913E-08" />
+  <Tmin units="K"  value="188.15" />
+  <Tmax units="K"  value="197.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.8265" />
+  <B value="0.29316" />
+  <C value="308.3" />
+  <D value="0.31711" />
+  <Tmin units="K"  value="189.54" />
+  <Tmax units="K"  value="307.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.22155" />
+  <B value="-3603.253" />
+  <C value="-10.0271" />
+  <D value="0.0000269397" />
+  <E value="2" />
+  <Tmin units="K"  value="187.75" />
+  <Tmax units="K"  value="308.33" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8817E+07" />
+  <B value="1.497" />
+  <C value="-1.0261" />
+  <D value="0.037348" />
+  <E value="-0.024401" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="308.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="36900" />
+  <Tmin units="K"  value="174" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79227" />
+  <B value="3177.2" />
+  <C value="-44.249" />
+  <D value="0.23814" />
+  <E value="-0.00030171" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="250" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28271.69" />
+  <B value="-404.2493" />
+  <C value="11.05572" />
+  <D value="-0.000229636" />
+  <E value="1.424209E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.032935" />
+  <B value="-6.0707" />
+  <C value="-4.922" />
+  <D value="119.69" />
+  <E value="-177.19" />
+  <Tmin units="K"  value="154.16" />
+  <Tmax units="K"  value="1541.65" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.822" />
+  <B value="283.23" />
+  <C value="0.22007" />
+  <D value="-0.0000091126" />
+  <E value="2" />
+  <Tmin units="K"  value="153.15" />
+  <Tmax units="K"  value="273.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010997" />
+  <B value="0.50414" />
+  <C value="259.72" />
+  <D value="2787.3" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.060328" />
+  <B value="-110.3" />
+  <C value="0.44567" />
+  <D value="-0.0073832" />
+  <E value="0.0000024581" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="250" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078096" />
+  <B value="1.0286" />
+  <C value="-36.515" />
+  <D value="33144" />
+  <Tmin units="K"  value="189.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0058288" />
+  <B value="469.57" />
+  <C value="-10.144" />
+  <D value="0.036848" />
+  <E value="-0.000083224" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="301.71" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20038" />
+  <B value="90.844" />
+  <C value="-0.021202" />
+  <D value="-0.000065684" />
+  <E value="4.3568E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.0217" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.46" />
+  <B value="1724.2" />
+  <C value="-14.702" />
+  <Tmin units="K"  value="192.59" />
+  <Tmax units="K"  value="273.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.8124" />
+  <B value="-0.017889" />
+  <C value="0.000019784" />
+  <Tmin units="K"  value="153.15" />
+  <Tmax units="K"  value="273.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16741" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.369994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="175.862" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2712" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="36.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.47883" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.417053" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20487" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0421382" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.39" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001831" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.4245" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1841" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18813" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0421382" />
+<UnifacVLE name="UNIFAC" >
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-86-2" />
+<Smiles name="SMILES"  value="C#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4868" />
+<CompoundID name="Name"  value="Dichloroacetaldehyde" />
+<StructureFormula name="Structure"  value="CHCl2CHO" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="555" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.239" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="30.4712" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.943" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0800261" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.343679" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.419E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0464" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.58E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.387E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="329000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.4E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.11E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.182" />
+  <B value="-0.0082192" />
+  <Tmin units="K"  value="89.2" />
+  <Tmax units="K"  value="223" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0695" />
+  <B value="0.25535" />
+  <C value="555" />
+  <D value="0.28663" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.61988" />
+  <B value="-7239.82" />
+  <C value="-10.19237" />
+  <D value="7.278159E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="555" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4311E+07" />
+  <B value="0.74287" />
+  <C value="-0.97767" />
+  <D value="1.092" />
+  <E value="-0.46681" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4914.9" />
+  <B value="686.94" />
+  <C value="-1.5072" />
+  <D value="0.0043969" />
+  <E value="-0.0000057306" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="223" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79819" />
+  <B value="-93.388" />
+  <C value="10.443" />
+  <D value="0.0030492" />
+  <E value="-0.0000015371" />
+  <Tmin units="K"  value="277.5" />
+  <Tmax units="K"  value="407.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68025" />
+  <B value="-873.5" />
+  <C value="12.537" />
+  <D value="-0.00086712" />
+  <E value="2.2298E-07" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14666" />
+  <B value="-146.64" />
+  <C value="-46.944" />
+  <D value="9273.3" />
+  <E value="-59706" />
+  <Tmin units="K"  value="277.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.012" />
+  <B value="2548.4" />
+  <C value="0.73092" />
+  <D value="-0.0000016452" />
+  <E value="2" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0229E-07" />
+  <B value="0.67781" />
+  <C value="216.84" />
+  <D value="-7478.9" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.006509" />
+  <B value="-45.732" />
+  <C value="-1.1121" />
+  <D value="-0.0023494" />
+  <E value="-2.6574E-07" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00042346" />
+  <B value="0.72759" />
+  <C value="609.27" />
+  <D value="10645" />
+  <Tmin units="K"  value="362" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016507" />
+  <B value="102.49" />
+  <C value="-3.2427" />
+  <D value="0.002483" />
+  <E value="-0.0000080057" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31310" />
+  <B value="196.15" />
+  <C value="-0.12609" />
+  <D value="0.000027886" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.357" />
+  <B value="2972.9" />
+  <C value="-59.701" />
+  <Tmin units="K"  value="339.2" />
+  <Tmax units="K"  value="488.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.143" />
+  <B value="-0.089877" />
+  <C value="0.00010345" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.246373" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.940499E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.4541" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260402" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="84.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0358" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.4274" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.343679" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0788193" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.058668" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.632" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.343679" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21250.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0788193" />
+<CAS name="CAS number"  value="79-02-7" />
+<Smiles name="SMILES"  value="[Cl]C([Cl])C(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1504" />
+<CompoundID name="Name"  value="Vinyl chloride" />
+<StructureFormula name="Structure"  value="CH2CHCl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="432" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.179" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.283" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="259.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="119.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="119.36" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0191781" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.4982" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0692236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.100107" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.049E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03203" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.74E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.845E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.195E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="273540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4744000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66941" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.178E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.453" />
+  <B value="-0.021899" />
+  <Tmin units="K"  value="47.74" />
+  <Tmax units="K"  value="119.36" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4882" />
+  <B value="0.26866" />
+  <C value="432" />
+  <D value="0.2693" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="30.50309" />
+  <B value="-3204.111" />
+  <C value="-1.15716" />
+  <D value="-3.151817E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="432" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.6581E+07" />
+  <B value="-2.1189" />
+  <C value="8.303" />
+  <D value="-9.8551" />
+  <E value="4.0685" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="69150" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29928" />
+  <B value="167.46" />
+  <C value="5.6386" />
+  <D value="0.023319" />
+  <E value="-0.000024747" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39013" />
+  <B value="-667.91" />
+  <C value="11.935" />
+  <D value="-0.00030895" />
+  <E value="9.1245E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.098959" />
+  <B value="-101.3" />
+  <C value="-7.5955" />
+  <D value="2613.5" />
+  <E value="-5619.5" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1962" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.586" />
+  <B value="386.19" />
+  <C value="-1.1014" />
+  <D value="-9.1164E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.1288E-07" />
+  <B value="0.63726" />
+  <C value="118.97" />
+  <D value="5390.5" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060341" />
+  <B value="155.36" />
+  <C value="-4.6785" />
+  <D value="0.015523" />
+  <E value="-0.000038165" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="377.59" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-260.51" />
+  <B value="0.58623" />
+  <C value="-1.7838E+08" />
+  <D value="-1.6691E+09" />
+  <Tmin units="K"  value="259.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022524" />
+  <B value="0.70561" />
+  <C value="-2.4028" />
+  <D value="-0.0019215" />
+  <E value="-0.0000032256" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13749" />
+  <B value="162.87" />
+  <C value="-0.095843" />
+  <D value="0.000021301" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="2058.7" />
+  <C value="-35.364" />
+  <Tmin units="K"  value="259.3" />
+  <Tmax units="K"  value="388.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.9112" />
+  <B value="-0.029433" />
+  <C value="0.00003364" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.169758" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.783204E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.7975" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281776" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="59.73" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34884" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.025" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.919257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.100107" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0646597" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.9124" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.492" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4731" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.100107" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17766.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0646597" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="46"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="32"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="46"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-01-4" />
+<Smiles name="SMILES"  value="C=C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1851" />
+<CompoundID name="Name"  value="Acetyl chloride" />
+<StructureFormula name="Structure"  value="CH3COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.196" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="323.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0945737" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.4976" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0713449" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.334018" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.712E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03699" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.52E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4351E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.058E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.75307E+08" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.7599E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.469" />
+  <B value="-0.013585" />
+  <Tmin units="K"  value="64.12" />
+  <Tmax units="K"  value="160.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4254" />
+  <B value="0.27938" />
+  <C value="508" />
+  <D value="0.26304" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.17638" />
+  <B value="-7177.914" />
+  <C value="-11.22425" />
+  <D value="-0.0000057394" />
+  <E value="2" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.0E+07" />
+  <B value="0.3" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="519.35" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42690" />
+  <B value="1356.4" />
+  <C value="-2.0032" />
+  <D value="0.038796" />
+  <E value="-0.000032805" />
+  <Tmin units="K"  value="227.44" />
+  <Tmax units="K"  value="381" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55490" />
+  <B value="-733.46" />
+  <C value="11.97" />
+  <D value="-0.00022853" />
+  <E value="6.1958E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12026" />
+  <B value="-122.6" />
+  <C value="-19.118" />
+  <D value="-10341" />
+  <E value="16844" />
+  <Tmin units="K"  value="254" />
+  <Tmax units="K"  value="1850" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="4.4371" />
+  <B value="130.26" />
+  <C value="-2.2299" />
+  <D value="-8.5166E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0377E-08" />
+  <B value="0.94052" />
+  <C value="79.768" />
+  <D value="-9041.6" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11965" />
+  <B value="1957.5" />
+  <C value="-32.911" />
+  <D value="0.1548" />
+  <E value="-0.00027429" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-27944" />
+  <B value="0.34599" />
+  <C value="-4.878E+09" />
+  <D value="-7.8546E+10" />
+  <Tmin units="K"  value="323.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028314" />
+  <B value="13.997" />
+  <C value="-2.5681" />
+  <D value="-0.00040564" />
+  <E value="-0.0000031823" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24995.64" />
+  <B value="170.9624" />
+  <C value="-0.0985039" />
+  <D value="0.0000221861" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.34649" />
+  <B value="-7900" />
+  <C value="-47.4" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.285" />
+  <B value="3449.5" />
+  <C value="-3.3316" />
+  <Tmin units="K"  value="306.28" />
+  <Tmax units="K"  value="453.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.4531" />
+  <B value="-0.020401" />
+  <C value="0.000018319" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.196053" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.310544E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.066" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26125" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="65.84" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0285" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.104" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.334018" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0712327" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.438365" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.208" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.334018" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20189.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0712327" />
+<CAS name="CAS number"  value="75-36-5" />
+<Smiles name="SMILES"  value="CC(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1524" />
+<CompoundID name="Name"  value="1,1,2-trichloroethane" />
+<StructureFormula name="Structure"  value="CHCl2CH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="602" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.281" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="44.7475" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="133.404" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0929898" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.259135" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.717E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05311" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.36E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.42E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.097E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="337100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85565" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.685E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.57" />
+  <B value="-0.006887" />
+  <Tmin units="K"  value="94.6" />
+  <Tmax units="K"  value="236.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.9055" />
+  <B value="0.25465" />
+  <C value="602" />
+  <D value="0.30987" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.05096" />
+  <B value="-6428.165" />
+  <C value="-6.44717" />
+  <D value="3.27127E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0503E+07" />
+  <B value="0.64021" />
+  <C value="-1.1382" />
+  <D value="1.5379" />
+  <E value="-0.66031" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="654700" />
+  <B value="-14318" />
+  <C value="123.14" />
+  <D value="-0.43554" />
+  <E value="0.00055528" />
+  <Tmin units="K"  value="117.15" />
+  <Tmax units="K"  value="222.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121000" />
+  <B value="433.16" />
+  <C value="2.2235" />
+  <D value="0.034423" />
+  <E value="-0.000040901" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56506" />
+  <B value="-535.36" />
+  <C value="12.166" />
+  <D value="-0.00021958" />
+  <E value="4.8605E-08" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18736" />
+  <B value="-244.22" />
+  <C value="-36.351" />
+  <D value="-1273" />
+  <E value="-10172" />
+  <Tmin units="K"  value="301" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-26.218" />
+  <B value="1571.3" />
+  <C value="2.5992" />
+  <D value="-0.0000081378" />
+  <E value="2" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="387" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8974E-07" />
+  <B value="0.68713" />
+  <C value="200.47" />
+  <D value="-854.38" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.027258" />
+  <B value="-78.724" />
+  <C value="-0.73941" />
+  <D value="-0.0030401" />
+  <E value="8.8565E-07" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="482" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000095455" />
+  <B value="1.0427" />
+  <C value="1258.3" />
+  <D value="-2960.2" />
+  <Tmin units="K"  value="387" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01087" />
+  <B value="126.61" />
+  <C value="-3.7929" />
+  <D value="0.0032685" />
+  <E value="-0.0000080616" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18491.19" />
+  <B value="309.57" />
+  <C value="-0.272542" />
+  <D value="0.0000927467" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.355533" />
+  <B value="-3750" />
+  <C value="-22.5" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.075" />
+  <B value="3187" />
+  <C value="-53.379" />
+  <Tmin units="K"  value="366.15" />
+  <Tmax units="K"  value="536.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.56855" />
+  <B value="-0.035441" />
+  <C value="0.000035292" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="387" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.282745" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.389493E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.1387" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267821" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.73" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0403" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.44" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.259768" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0929898" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.526" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.259768" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19818.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0929898" />
+<UnifacVLE name="UNIFAC" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="31"  value="1" />
+  <group id="35"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="35"  value="1" />
+  <group id="37"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="44"  value="1" />
+  <group id="48"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-00-5" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1772" />
+<CompoundID name="Name"  value="Acetonitrile" />
+<StructureFormula name="Structure"  value="CH3CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="545.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4830000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.173" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.184" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="229.32" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.32" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="186.945" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="41.0519" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0528577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.337886" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.841E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02837" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.31E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7.404E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.1868E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243290" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8167000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10072" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.19043E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="26.156" />
+  <B value="-0.012566" />
+  <Tmin units="K"  value="91.73" />
+  <Tmax units="K"  value="229.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3064" />
+  <B value="0.22597" />
+  <C value="545.5" />
+  <D value="0.28678" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.90188" />
+  <B value="-5635.018" />
+  <C value="-6.338065" />
+  <D value="5.801644E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="226.15" />
+  <Tmax units="K"  value="545.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.416703E+07" />
+  <B value="0.0989791" />
+  <C value="1.817987" />
+  <D value="-3.443548" />
+  <E value="1.854664" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24879" />
+  <B value="1533.9" />
+  <C value="-14.715" />
+  <D value="0.077647" />
+  <E value="-0.00014986" />
+  <Tmin units="K"  value="25.75" />
+  <Tmax units="K"  value="224.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78687" />
+  <B value="635.92" />
+  <C value="1.7473" />
+  <D value="0.02389" />
+  <E value="-0.000017421" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="354.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41003" />
+  <B value="-679.99" />
+  <C value="11.578" />
+  <D value="0.00010104" />
+  <E value="-4.1014E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.0059949" />
+  <B value="-17.326" />
+  <C value="-84.313" />
+  <D value="48578" />
+  <E value="-218790" />
+  <Tmin units="K"  value="301.4" />
+  <Tmax units="K"  value="1918" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-31.531" />
+  <B value="1522.1" />
+  <C value="3.3306" />
+  <D value="-0.0000059061" />
+  <E value="2" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="436.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1905E-08" />
+  <B value="0.88581" />
+  <C value="38.325" />
+  <D value="87.034" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.18265" />
+  <B value="8401.9" />
+  <C value="-103.1" />
+  <D value="0.40559" />
+  <E value="-0.00056286" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="4.7622E-08" />
+  <B value="2.1156" />
+  <C value="30.88" />
+  <D value="-14671" />
+  <Tmin units="K"  value="354.75" />
+  <Tmax units="K"  value="994.75" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.020712" />
+  <B value="60.742" />
+  <C value="-3.1145" />
+  <D value="0.0012183" />
+  <E value="-0.0000051841" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20459.76" />
+  <B value="119.5411" />
+  <C value="-0.0449278" />
+  <D value="3.213187E-06" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.40026" />
+  <B value="-12960.1" />
+  <C value="-29.78921" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="545" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.165" />
+  <B value="3643.3" />
+  <C value="-12.319" />
+  <Tmin units="K"  value="329.17" />
+  <Tmax units="K"  value="478.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.8595" />
+  <B value="-0.024217" />
+  <C value="0.000023868" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="436.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.15354" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.927671E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="80.36225" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260911" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="43.27" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.05284" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0221" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.30759" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0526772" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.87" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.72" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.33826" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338174" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24093.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0526772" />
+<UnifacVLE name="UNIFAC" >
+  <group id="41"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="41"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="28"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="41"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="41"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="40"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-05-8" />
+<Smiles name="SMILES"  value="CC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="201" />
+<CompoundID name="Name"  value="Ethylene" />
+<StructureFormula name="Structure"  value="CH2CH2" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="282.34" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5041000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.282" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="169.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="104" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="104" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="125.988" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.054" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05107" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.087" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.548E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02388" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.251E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.844E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="219200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3351000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.61252" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.323E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.172" />
+  <B value="-0.027595" />
+  <Tmin units="K"  value="73.15" />
+  <Tmax units="K"  value="104" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3782" />
+  <B value="0.29542" />
+  <C value="282.36" />
+  <D value="0.32456" />
+  <Tmin units="K"  value="103.18" />
+  <Tmax units="K"  value="282.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="54.53229" />
+  <B value="-2458.42" />
+  <C value="-5.660037" />
+  <D value="0.0000194185" />
+  <E value="2" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="282.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1658E+07" />
+  <B value="1.2164" />
+  <C value="-2.1538" />
+  <D value="2.0768" />
+  <E value="-0.73096" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="282.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4815.2" />
+  <B value="-937.58" />
+  <C value="68.923" />
+  <D value="-1.0511" />
+  <E value="0.0052386" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="103.97" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68016" />
+  <B value="-22414" />
+  <C value="286.75" />
+  <D value="-1.1802" />
+  <E value="0.0017304" />
+  <Tmin units="K"  value="99.82" />
+  <Tmax units="K"  value="259.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33071.93" />
+  <B value="-860.0281" />
+  <C value="12.22807" />
+  <D value="-0.000509703" />
+  <E value="1.628387E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.092447" />
+  <B value="-60.239" />
+  <C value="-0.7957" />
+  <D value="-5.0549" />
+  <E value="5.3309" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9556" />
+  <B value="288.21" />
+  <C value="-0.21985" />
+  <D value="-0.000010831" />
+  <E value="2" />
+  <Tmin units="K"  value="103.1" />
+  <Tmax units="K"  value="260" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021134" />
+  <B value="0.41436" />
+  <C value="359.51" />
+  <D value="-2291.7" />
+  <Tmin units="K"  value="169.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19499" />
+  <B value="-11.178" />
+  <C value="-0.31182" />
+  <D value="-0.0034844" />
+  <E value="3.5873E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="280" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000093247" />
+  <B value="1.4607" />
+  <C value="410.48" />
+  <D value="-44405" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="590.92" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.002859" />
+  <B value="236.18" />
+  <C value="-7.9878" />
+  <D value="0.032145" />
+  <E value="-0.000097469" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="272.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35095" />
+  <B value="-73.018" />
+  <C value="0.48182" />
+  <D value="-0.00055948" />
+  <E value="2.0878E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.89" />
+  <B value="1502.3" />
+  <C value="-8.9148" />
+  <Tmin units="K"  value="169.41" />
+  <Tmax units="K"  value="253.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.3856" />
+  <B value="-0.034465" />
+  <C value="0.000053356" />
+  <Tmin units="K"  value="103.1" />
+  <Tmax units="K"  value="260" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13097" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.329924E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="193.4561" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0177" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.383226" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0882" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0493214" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.57" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.49" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002805" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0949" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12436.64" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.061" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-85-1" />
+<Smiles name="SMILES"  value="C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1522" />
+<CompoundID name="Name"  value="1,1-dichloroethane" />
+<StructureFormula name="Structure"  value="CHCl2CH3" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="523" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.236" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.277" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="330.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.21455" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.959" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08473" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.244" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.095E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04493" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.33E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2941E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.259E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="305010" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7870000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95261" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1104E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.18" />
+  <B value="-0.010734" />
+  <Tmin units="K"  value="70.48" />
+  <Tmax units="K"  value="176.19" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1057" />
+  <B value="0.26536" />
+  <C value="523" />
+  <D value="0.28703" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.53401" />
+  <B value="-5492.415" />
+  <C value="-6.715993" />
+  <D value="5.298782E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="523" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.458773E+07" />
+  <B value="0.555838" />
+  <C value="0.0209485" />
+  <D value="-0.722234" />
+  <E value="0.56963" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14894" />
+  <B value="1761.9" />
+  <C value="-17.551" />
+  <D value="0.085912" />
+  <E value="-0.00013498" />
+  <Tmin units="K"  value="14.17" />
+  <Tmax units="K"  value="165.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115470" />
+  <B value="479.34" />
+  <C value="1.2009" />
+  <D value="0.029511" />
+  <E value="-0.000025794" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45661" />
+  <B value="-449.92" />
+  <C value="11.802" />
+  <D value="0.00015496" />
+  <E value="-5.3829E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.065419" />
+  <B value="-59.071" />
+  <C value="-33.932" />
+  <D value="9018.2" />
+  <E value="-20873" />
+  <Tmin units="K"  value="261.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.7803" />
+  <B value="891.16" />
+  <C value="-0.14866" />
+  <D value="-3.5884E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001814" />
+  <B value="0.74706" />
+  <C value="93.461" />
+  <D value="1513.7" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011357" />
+  <B value="-64.086" />
+  <C value="-0.98127" />
+  <D value="-0.0039469" />
+  <E value="6.6106E-07" />
+  <Tmin units="K"  value="156.9" />
+  <Tmax units="K"  value="416.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013381" />
+  <B value="1.01" />
+  <C value="1042.5" />
+  <D value="-2442" />
+  <Tmin units="K"  value="330.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043274" />
+  <B value="-3.8245" />
+  <C value="-2.0709" />
+  <D value="-0.0019704" />
+  <E value="-1.9129E-07" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21701" />
+  <B value="206.64" />
+  <C value="-0.056123" />
+  <D value="-0.000086055" />
+  <E value="5.3462E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.65507" />
+  <B value="-8350" />
+  <C value="-50.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.36" />
+  <B value="2884.3" />
+  <C value="-37.086" />
+  <Tmin units="K"  value="318.35" />
+  <Tmax units="K"  value="468.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.60084" />
+  <B value="-0.045249" />
+  <C value="0.000058588" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.38154E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="336.0022" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.83715" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0336" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.18256" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23646" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0847207" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9617" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.532" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5103" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.244612" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18299.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0847207" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="49"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="35"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="37"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="49"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="48"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-34-3" />
+<Smiles name="SMILES"  value="CC([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1523" />
+<CompoundID name="Name"  value="1,2-dichloroethane" />
+<StructureFormula name="Structure"  value="CH2ClCH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="237.49" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="237.49" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="237.127" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.959" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07945" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.286" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.827E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0437" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2979E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.3945E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8830000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98897" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.105E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.854" />
+  <B value="2.2061E-09" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="232.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1942" />
+  <B value="0.27053" />
+  <C value="561.61" />
+  <D value="0.29157" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="561.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.47902" />
+  <B value="-6503.169" />
+  <C value="-8.960273" />
+  <D value="7.32894E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="561.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.072427E+07" />
+  <B value="0.517321" />
+  <C value="0.205828" />
+  <D value="-0.637156" />
+  <E value="0.265499" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32947" />
+  <B value="-881.85" />
+  <C value="32.363" />
+  <D value="-0.29817" />
+  <E value="0.00092602" />
+  <Tmin units="K"  value="40.69" />
+  <Tmax units="K"  value="179.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92757" />
+  <B value="224.15" />
+  <C value="8.5223" />
+  <D value="0.0025656" />
+  <E value="0.000005106" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="522.04" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62073" />
+  <B value="-758.84" />
+  <C value="12.345" />
+  <D value="-0.0004196" />
+  <E value="0.0000001146" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15478" />
+  <B value="-169.14" />
+  <C value="-26.602" />
+  <D value="737.05" />
+  <E value="-4862.1" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="1964" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="25.747" />
+  <B value="-385.45" />
+  <C value="-5.5912" />
+  <D value="0.0000027937" />
+  <E value="2" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1983E-07" />
+  <B value="0.79504" />
+  <C value="20.791" />
+  <D value="14003" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.015945" />
+  <B value="-110.67" />
+  <C value="-0.74013" />
+  <D value="-0.0032664" />
+  <E value="-5.0786E-07" />
+  <Tmin units="K"  value="244.26" />
+  <Tmax units="K"  value="499.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023592" />
+  <B value="0.93945" />
+  <C value="1368.6" />
+  <D value="23794" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022707" />
+  <B value="74.78" />
+  <C value="-2.954" />
+  <D value="0.00056054" />
+  <E value="-0.0000041954" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24860" />
+  <B value="192.87" />
+  <C value="-0.03359" />
+  <D value="-0.000094203" />
+  <E value="0.0000000513" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.970346" />
+  <B value="-5150" />
+  <C value="-30.9" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.473" />
+  <B value="3186" />
+  <C value="-36.407" />
+  <Tmin units="K"  value="337.48" />
+  <Tmax units="K"  value="499.82" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.994" />
+  <B value="-0.021914" />
+  <C value="0.000015517" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.231863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.805919E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.5597" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.73831" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0334" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2604" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2876" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0794424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.88" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.52" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2388" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2876" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20249.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0794424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="45"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="31"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="35"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="45"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="45"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="44"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-06-2" />
+<Smiles name="SMILES"  value="[Cl]CC[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1002" />
+<CompoundID name="Name"  value="Acetaldehyde" />
+<StructureFormula name="Structure"  value="CH3CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="466" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.154" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="150.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="150.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.323203" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0526" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0568878" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.290734" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.083E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02881" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.49E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.664E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.333E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="264200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3220000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.19343" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1045E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.289" />
+  <B value="-0.020316" />
+  <Tmin units="K"  value="60.06" />
+  <Tmax units="K"  value="150.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2346" />
+  <B value="0.22392" />
+  <C value="466" />
+  <D value="0.25025" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="455.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="132.6058" />
+  <B value="-7086.883" />
+  <C value="-17.42481" />
+  <D value="0.0000237457" />
+  <E value="2" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="466" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4565E+07" />
+  <B value="-6.1925" />
+  <C value="18.559" />
+  <D value="-20.707" />
+  <E value="8.5605" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="449.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="65440" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72077" />
+  <B value="1068.4" />
+  <C value="-6.4275" />
+  <D value="0.06878" />
+  <E value="-0.000079154" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="294" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42578" />
+  <B value="-730.39" />
+  <C value="11.883" />
+  <D value="0.000033485" />
+  <E value="-3.0296E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.078952" />
+  <B value="-74.81" />
+  <C value="-19.77" />
+  <D value="936.76" />
+  <E value="-8295.3" />
+  <Tmin units="K"  value="230.5" />
+  <Tmax units="K"  value="1844" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.0316" />
+  <B value="623.05" />
+  <C value="-1.1589" />
+  <D value="8.4583E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="444.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1933E-07" />
+  <B value="0.78879" />
+  <C value="65.293" />
+  <D value="1023.3" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.014392" />
+  <B value="-40.45" />
+  <C value="-0.67323" />
+  <D value="-0.0036191" />
+  <E value="0.0000011083" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="410.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="3.2627E-07" />
+  <B value="1.8293" />
+  <C value="-23.073" />
+  <D value="3397.7" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="994" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.038609" />
+  <B value="8.1469" />
+  <C value="-2.3156" />
+  <D value="-0.0012955" />
+  <E value="-0.0000017377" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="449.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7716" />
+  <B value="182.3" />
+  <C value="-0.1007" />
+  <D value="0.0000238" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-25.20353" />
+  <B value="-10000" />
+  <C value="-65.4" />
+  <Tmin units="K"  value="259.15" />
+  <Tmax units="K"  value="429.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.688" />
+  <B value="3543.8" />
+  <C value="23.246" />
+  <Tmin units="K"  value="282.85" />
+  <Tmax units="K"  value="416.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.38" />
+  <B value="-0.03568" />
+  <C value="0.000039369" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="444.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.15309" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.120889E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="132.7735" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="47.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.05829" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0217" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.778" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26469" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0564965" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.9" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.8" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.58913" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316685" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19818.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0564965" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-07-0" />
+<Smiles name="SMILES"  value="CC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1441" />
+<CompoundID name="Name"  value="Ethylene oxide" />
+<StructureFormula name="Structure"  value="CH2OCH2" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="469.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7190000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.140296" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25876" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="283.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.78791" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0526" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0508328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.197447" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.937E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02416" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.263E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.323E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="242990" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5171400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78776" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.218E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.78" />
+  <B value="-0.02052" />
+  <Tmin units="K"  value="64.26" />
+  <Tmax units="K"  value="160.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99773" />
+  <B value="0.19368" />
+  <C value="469.15" />
+  <D value="0.19965" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="468.93" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.60869" />
+  <B value="-4890.744" />
+  <C value="-7.346771" />
+  <D value="8.198478E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="469.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9285E+07" />
+  <B value="3.2175" />
+  <C value="-7.404" />
+  <D value="7.8553" />
+  <E value="-3.1858" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="468.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20332" />
+  <B value="1447.4" />
+  <C value="-11.168" />
+  <D value="0.034509" />
+  <E value="0.0000067015" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="160.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81911" />
+  <B value="-50003" />
+  <C value="534.49" />
+  <D value="-1.8654" />
+  <E value="0.00223" />
+  <Tmin units="K"  value="160.6" />
+  <Tmax units="K"  value="285" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31884.09" />
+  <B value="-715.0886" />
+  <C value="12.13937" />
+  <D value="-0.0000867837" />
+  <E value="-5.187264E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.05805" />
+  <B value="-49.435" />
+  <C value="-18.537" />
+  <D value="7195.3" />
+  <E value="-17758" />
+  <Tmin units="K"  value="234.57" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.5785" />
+  <B value="634.7" />
+  <C value="-0.32031" />
+  <D value="-8.1095E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="469.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010777" />
+  <B value="0.52994" />
+  <C value="452.12" />
+  <D value="-16957" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="1223.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.2748" />
+  <B value="8.1093" />
+  <C value="-0.70065" />
+  <D value="-0.00041054" />
+  <E value="-6.2588E-07" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.00032904" />
+  <B value="1.1711" />
+  <C value="-7027.1" />
+  <D value="89001" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.041866" />
+  <B value="-3.1134" />
+  <C value="-2.1272" />
+  <D value="-0.0015044" />
+  <E value="-0.0000015749" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="452.91" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7520.322" />
+  <B value="222.0616" />
+  <C value="-0.125595" />
+  <D value="0.0000259182" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.87179" />
+  <B value="-7000" />
+  <C value="-42" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.753" />
+  <B value="2668.9" />
+  <C value="-22.526" />
+  <Tmin units="K"  value="282.36" />
+  <Tmax units="K"  value="420.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.1876" />
+  <B value="-0.041268" />
+  <C value="0.000058903" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13515" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.910399E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="235.8602" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="47.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01111" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.02" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.88208" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2114" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0497046" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5927" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.32" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.12867" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.202" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21584" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0497046" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-21-8" />
+<Smiles name="SMILES"  value="C1OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1252" />
+<CompoundID name="Name"  value="Acetic acid" />
+<StructureFormula name="Structure"  value="CH3COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.45" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5790000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.171" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="289.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1280" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.053" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05753" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.46" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.61E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0333" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.328E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.745E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="282500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.173E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.29616" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.866E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.877" />
+  <B value="-0.0096568" />
+  <Tmin units="K"  value="115.92" />
+  <Tmax units="K"  value="289.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0627" />
+  <B value="0.22174" />
+  <C value="594.76" />
+  <D value="0.22566" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="594.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.50607" />
+  <B value="-7603.906" />
+  <C value="-9.655308" />
+  <D value="7.168835E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="594.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6203E+07" />
+  <B value="6.7121" />
+  <C value="-17.45" />
+  <D value="17.2" />
+  <E value="-6.0038" />
+  <Tmin units="K"  value="289.81" />
+  <Tmax units="K"  value="591.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12076" />
+  <B value="1070.4" />
+  <C value="-5.5698" />
+  <D value="0.01112" />
+  <E value="-9.9868E-07" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="289.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49034" />
+  <B value="1051.1" />
+  <C value="0.77564" />
+  <D value="0.031667" />
+  <E value="-0.000028344" />
+  <Tmin units="K"  value="289.69" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40110" />
+  <B value="-588.24" />
+  <C value="12.017" />
+  <D value="0.00016249" />
+  <E value="-8.6918E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-58.528" />
+  <B value="2990.9" />
+  <C value="7.4911" />
+  <D value="-0.000011028" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.3395E-09" />
+  <B value="1.24" />
+  <C value="-175.09" />
+  <D value="25013" />
+  <Tmin units="K"  value="289.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11159" />
+  <B value="-531.13" />
+  <C value="1.6359" />
+  <D value="-0.009369" />
+  <E value="-7.1996E-07" />
+  <Tmin units="K"  value="274.09" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.34137" />
+  <B value="-0.80579" />
+  <C value="-824.3" />
+  <D value="175840" />
+  <Tmin units="K"  value="391.05" />
+  <Tmax units="K"  value="468.55" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025913" />
+  <B value="31.086" />
+  <C value="-2.8254" />
+  <D value="0.000036752" />
+  <E value="-0.0000025639" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="591.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36376" />
+  <B value="-19.93" />
+  <C value="0.56181" />
+  <D value="-0.00072868" />
+  <E value="2.8918E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.091204" />
+  <B value="-3100" />
+  <C value="-18.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.785" />
+  <B value="4151.5" />
+  <C value="-22.49" />
+  <Tmin units="K"  value="361.02" />
+  <Tmax units="K"  value="533.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.57433" />
+  <B value="-0.034964" />
+  <C value="0.00003435" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.17407" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.14509E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="118.2324" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="53.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.05202" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0235" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0515" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.43099" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0575804" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.23" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.04" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.92225" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4566" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18501.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0575804" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="64-19-7" />
+<Smiles name="SMILES"  value="CC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1301" />
+<CompoundID name="Name"  value="Methyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="487.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.172" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="304.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.88085" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.053" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06214" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.387E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03251" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.524E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.95E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="285200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7531000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86547" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.924E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.868" />
+  <B value="-0.015242" />
+  <Tmin units="K"  value="69.66" />
+  <Tmax units="K"  value="174.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.213" />
+  <B value="0.23619" />
+  <C value="487.2" />
+  <D value="0.24621" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.6458" />
+  <B value="-5401.751" />
+  <C value="-7.334787" />
+  <D value="5.934343E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0578E+07" />
+  <B value="3.7855" />
+  <C value="-9.0874" />
+  <D value="9.6043" />
+  <E value="-3.7868" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="78860" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97064" />
+  <B value="3377.4" />
+  <C value="-42.373" />
+  <D value="0.22648" />
+  <E value="-0.00029763" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41319" />
+  <B value="-570.15" />
+  <C value="12.038" />
+  <D value="-0.000034216" />
+  <E value="-2.7109E-11" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.095846" />
+  <B value="-103.82" />
+  <C value="-15.924" />
+  <D value="-865.24" />
+  <E value="-816.67" />
+  <Tmin units="K"  value="243.6" />
+  <Tmax units="K"  value="1948.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.949" />
+  <B value="1214.4" />
+  <C value="-0.53562" />
+  <D value="0.000010346" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000069776" />
+  <B value="0.31537" />
+  <C value="1034.6" />
+  <D value="13.293" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0090363" />
+  <B value="23.594" />
+  <C value="-1.5627" />
+  <D value="0.00089283" />
+  <E value="-0.0000058101" />
+  <Tmin units="K"  value="146.16" />
+  <Tmax units="K"  value="386.16" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-817050" />
+  <B value="-0.23016" />
+  <C value="2.5314E+08" />
+  <D value="-1.5205E+12" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013259" />
+  <B value="47.144" />
+  <C value="-3.0417" />
+  <D value="0.001159" />
+  <E value="-0.0000083817" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="470.72" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="18932" />
+  <B value="149.77" />
+  <C value="0.096448" />
+  <D value="-0.00024287" />
+  <E value="1.1158E-07" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.378946" />
+  <B value="-4250" />
+  <C value="-25.5" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.436" />
+  <B value="2622.4" />
+  <C value="-40.294" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="437.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0549" />
+  <B value="-0.05168" />
+  <C value="0.000071381" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16931" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.348593E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="232.362" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="53.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.22908" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0245" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.981244" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25698" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0620841" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1431" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.036" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.86272" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.257" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20503.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0620841" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-31-3" />
+<Smiles name="SMILES"  value="COC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1503" />
+<CompoundID name="Name"  value="Ethyl chloride" />
+<StructureFormula name="Structure"  value="CH3CH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="460.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.199" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="285.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.1249" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="64.514" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07258" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.267E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03552" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1226E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.0499E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275780" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4451800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77201" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.2849E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.614" />
+  <B value="-0.018098" />
+  <Tmin units="K"  value="53.92" />
+  <Tmax units="K"  value="134.8" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3553" />
+  <B value="0.26895" />
+  <C value="460.36" />
+  <D value="0.24994" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="460.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.28342" />
+  <B value="-4206.393" />
+  <C value="-4.478839" />
+  <D value="3.812824E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="460.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.61548E+07" />
+  <B value="0.981924" />
+  <C value="-2.026046" />
+  <D value="2.205811" />
+  <E value="-0.774155" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="443.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13544" />
+  <B value="1361" />
+  <C value="-5.3607" />
+  <D value="-0.058393" />
+  <E value="0.00049341" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="134.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95946" />
+  <B value="-7247" />
+  <C value="67.469" />
+  <D value="-0.16696" />
+  <E value="0.00017795" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="340" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="12765.96" />
+  <B value="-117.0948" />
+  <C value="11.04141" />
+  <D value="0.00111696" />
+  <E value="-3.565557E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11811" />
+  <B value="-121.34" />
+  <C value="-10.857" />
+  <D value="-276.9" />
+  <E value="96.111" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="1841.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.065" />
+  <B value="698.32" />
+  <C value="-0.097691" />
+  <D value="8.0018E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2572E-07" />
+  <B value="0.66869" />
+  <C value="165.43" />
+  <D value="-2726.9" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.062544" />
+  <B value="150.84" />
+  <C value="-4.3182" />
+  <D value="0.012599" />
+  <E value="-0.000031799" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-19.83" />
+  <B value="0.20145" />
+  <C value="-728060" />
+  <D value="-2.7917E+08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036834" />
+  <B value="33.167" />
+  <C value="-2.7206" />
+  <D value="0.000040391" />
+  <E value="-0.0000033391" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="443.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25185" />
+  <B value="82.189" />
+  <C value="0.24669" />
+  <D value="-0.00037831" />
+  <E value="1.5556E-07" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.394" />
+  <B value="-4725" />
+  <C value="-28.35" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.412" />
+  <B value="2616.2" />
+  <C value="-20.799" />
+  <Tmin units="K"  value="276.6" />
+  <Tmax units="K"  value="408.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7339" />
+  <B value="-0.03541" />
+  <C value="0.000044884" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1858" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.45E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="423" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="64.35" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0268" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.902494" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.18795" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0708426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.3665" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.112" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.190636" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17772.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0708426" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="31"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="44"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-00-3" />
+<Smiles name="SMILES"  value="CC[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2" />
+<CompoundID name="Name"  value="Ethane" />
+<StructureFormula name="Structure"  value="CH3CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="305.32" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4872000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1455" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.279" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="184.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="90.352" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="90.352" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.13" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.07" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.099" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.826E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02734" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.382E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.192E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="229120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2859000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.68638" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.42864E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="25.301" />
+  <B value="-0.012024" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="90.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3749" />
+  <B value="0.23949" />
+  <C value="305.43" />
+  <D value="0.22875" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="305.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.43744" />
+  <B value="-2814.319" />
+  <C value="-6.778053" />
+  <D value="0.0000210827" />
+  <E value="2" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="305.42" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.3996E+07" />
+  <B value="1.4625" />
+  <C value="-2.8991" />
+  <D value="2.8421" />
+  <E value="-0.99532" />
+  <Tmin units="K"  value="89.88" />
+  <Tmax units="K"  value="305.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7021.9" />
+  <B value="-1326.3" />
+  <C value="90.192" />
+  <D value="-1.4782" />
+  <E value="0.0082308" />
+  <Tmin units="K"  value="15.53" />
+  <Tmax units="K"  value="78.55" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68726" />
+  <B value="-1953.6" />
+  <C value="31.772" />
+  <D value="-0.10571" />
+  <E value="0.00019673" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="35666.22" />
+  <B value="-616.5198" />
+  <C value="11.69914" />
+  <D value="0.000444525" />
+  <E value="-1.541942E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.080874" />
+  <B value="-61.025" />
+  <C value="-1.5752" />
+  <D value="9.7998" />
+  <E value="-13.178" />
+  <Tmin units="K"  value="115" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-33.92204" />
+  <B value="743.404" />
+  <C value="4.302492" />
+  <D value="-0.0000364469" />
+  <E value="2" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.2452E-07" />
+  <B value="0.58906" />
+  <C value="188.8" />
+  <D value="-2953.8" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.073876" />
+  <B value="-9.6787" />
+  <C value="-0.67405" />
+  <D value="-0.003407" />
+  <E value="-0.0000022023" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074549" />
+  <B value="1.168" />
+  <C value="506.4" />
+  <D value="-881.74" />
+  <Tmin units="K"  value="184.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092564" />
+  <B value="30.13" />
+  <C value="-3.5743" />
+  <D value="0.0026003" />
+  <E value="-0.000021736" />
+  <Tmin units="K"  value="89.88" />
+  <Tmax units="K"  value="305.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34738" />
+  <B value="-36.808" />
+  <C value="0.4706" />
+  <D value="-0.000553" />
+  <E value="2.0678E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="1665.8" />
+  <C value="-7.8809" />
+  <Tmin units="K"  value="183.85" />
+  <Tmax units="K"  value="273.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.6951" />
+  <B value="-0.027749" />
+  <C value="0.000033258" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.14575" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.540889E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="201.2999" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2793" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="45.66" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.42475" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0197" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.355683" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0983" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0551979" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.8022" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.696" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1.696" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.72531" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0908" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12375.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0551979" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="6"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="230"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-84-0" />
+<Smiles name="SMILES"  value="CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1102" />
+<CompoundID name="Name"  value="Ethanol" />
+<StructureFormula name="Structure"  value="CH3CH2OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="513.92" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6148000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.167" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="351.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000495642" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.069" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05868" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.649" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.259E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.64E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.3495E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.6785E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="280640" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4931000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3327" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.235E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.584" />
+  <B value="-0.016742" />
+  <Tmin units="K"  value="63.62" />
+  <Tmax units="K"  value="159.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3539" />
+  <B value="0.24957" />
+  <C value="515.66" />
+  <D value="0.22099" />
+  <Tmin units="K"  value="159" />
+  <Tmax units="K"  value="515.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.0754" />
+  <B value="-7652.06" />
+  <C value="-9.471507" />
+  <D value="5.928087E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="516.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3899E+07" />
+  <B value="1.2782" />
+  <C value="-2.673" />
+  <D value="2.7973" />
+  <E value="-1.0209" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="515.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12797" />
+  <B value="1133.1" />
+  <C value="-7.3716" />
+  <D value="0.021296" />
+  <E value="-0.0000012564" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="159" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76684" />
+  <B value="675.72" />
+  <C value="-0.093875" />
+  <D value="0.037153" />
+  <E value="-0.000031214" />
+  <Tmin units="K"  value="158.5" />
+  <Tmax units="K"  value="399.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44530" />
+  <B value="-660.89" />
+  <C value="12.153" />
+  <D value="0.000019532" />
+  <E value="-1.5636E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.03174" />
+  <B value="-35.721" />
+  <C value="-17.382" />
+  <D value="-6686.6" />
+  <E value="-21212" />
+  <Tmin units="K"  value="263" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.061" />
+  <B value="774.76" />
+  <C value="-3.0701" />
+  <D value="-4.3408E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="440" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2467E-07" />
+  <B value="0.7862" />
+  <C value="76.034" />
+  <D value="-2017.3" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10247" />
+  <B value="-120.39" />
+  <C value="-0.48487" />
+  <D value="-0.0071706" />
+  <E value="0.000003461" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.01001" />
+  <B value="0.64925" />
+  <C value="-7360.5" />
+  <D value="-255250" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.078773" />
+  <B value="19.874" />
+  <C value="-2.3731" />
+  <D value="0.00067227" />
+  <E value="-0.0000021132" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36550" />
+  <B value="5.2215" />
+  <C value="0.46112" />
+  <D value="-0.00058401" />
+  <E value="2.2324E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-25.13869" />
+  <B value="17834.39" />
+  <C value="-2.936184" />
+  <D value="0.0226118" />
+  <E value="1.015427" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="510" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.994" />
+  <B value="3337.3" />
+  <C value="-60.406" />
+  <Tmin units="K"  value="308.5" />
+  <Tmax units="K"  value="458.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.9282" />
+  <B value="-0.045463" />
+  <C value="0.000042849" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="440" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.169282" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.31E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="431" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.96946" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0277" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79598" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.634" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0586177" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.11" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.97" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.92" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.678665" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.216396" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.1879" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.634" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26133.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0586177" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="64-17-5" />
+<Smiles name="SMILES"  value="CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1401" />
+<CompoundID name="Name"  value="Dimethyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="400.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.17" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="248.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="131.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="131.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.04959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.069" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06907" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.191" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.154E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03104" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.841E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.128E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="266700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4937000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77572" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.3284E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.059" />
+  <B value="-0.020492" />
+  <Tmin units="K"  value="52.66" />
+  <Tmax units="K"  value="131.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4889" />
+  <B value="0.26123" />
+  <C value="400.1" />
+  <D value="0.27948" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.32175" />
+  <B value="-3631.453" />
+  <C value="-4.444735" />
+  <D value="5.290757E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8521E+07" />
+  <B value="2.2845" />
+  <C value="-5.7518" />
+  <D value="6.5695" />
+  <E value="-2.6976" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13616" />
+  <B value="1241.9" />
+  <C value="-7.8805" />
+  <D value="0.023826" />
+  <E value="0.0000089126" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="131.64" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97754" />
+  <B value="353.35" />
+  <C value="-1.896" />
+  <D value="0.040999" />
+  <E value="-0.000017816" />
+  <Tmin units="K"  value="131.64" />
+  <Tmax units="K"  value="250" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37573.94" />
+  <B value="-346.059" />
+  <C value="11.12596" />
+  <D value="0.00118434" />
+  <E value="-4.086847E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1196" />
+  <B value="-114.27" />
+  <C value="-4.7652" />
+  <D value="-552.86" />
+  <E value="923.94" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.661" />
+  <B value="449.83" />
+  <C value="0.0072727" />
+  <D value="-3.6906E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="248.31" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000027281" />
+  <B value="0.3952" />
+  <C value="534.12" />
+  <D value="2319" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15344" />
+  <B value="-11.847" />
+  <C value="-0.56462" />
+  <D value="-0.0022104" />
+  <E value="5.6048E-07" />
+  <Tmin units="K"  value="120.03" />
+  <Tmax units="K"  value="320.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.059968" />
+  <B value="0.26671" />
+  <C value="1018.3" />
+  <D value="1098900" />
+  <Tmin units="K"  value="248.31" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093353" />
+  <B value="46.031" />
+  <C value="-3.4828" />
+  <D value="0.0024176" />
+  <E value="-0.000014319" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36259" />
+  <B value="50.469" />
+  <C value="0.24104" />
+  <D value="-0.00029774" />
+  <E value="1.0659E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="4" />
+  <A value="14.87198" />
+  <B value="-0.0266292" />
+  <C value="-0.0000434922" />
+  <D value="0.0000000821" />
+  <Tmin units="K"  value="155" />
+  <Tmax units="K"  value="510" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.354" />
+  <B value="2237.8" />
+  <C value="-20.775" />
+  <Tmin units="K"  value="241.96" />
+  <Tmax units="K"  value="357.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.0837" />
+  <B value="-0.041241" />
+  <C value="0.000073668" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="248.31" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.18366" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.21E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="432" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.04503" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0233" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.670302" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1972" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0703107" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.0461" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.936" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.17891" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15212.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0703107" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-10-6" />
+<Smiles name="SMILES"  value="COC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1201" />
+<CompoundID name="Name"  value="Ethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="719" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.191" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="470.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="260.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="260.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.21922" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.0678" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.055908" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.506776" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.564E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="33840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.04E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03654" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.922E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.018E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304891" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9958000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.25835" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.0527E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.236" />
+  <B value="-0.009952" />
+  <Tmin units="K"  value="104.06" />
+  <Tmax units="K"  value="260.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3106" />
+  <B value="0.25084" />
+  <C value="720" />
+  <D value="0.21838" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="695.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.11797" />
+  <B value="-9617.267" />
+  <C value="-5.83171" />
+  <D value="-1.13705E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="720" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.414E+07" />
+  <B value="0.16807" />
+  <C value="-0.19694" />
+  <D value="1.0417" />
+  <E value="-0.61488" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="695.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24975" />
+  <B value="-137.65" />
+  <C value="6.7837" />
+  <D value="-0.041927" />
+  <E value="0.000088083" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="240" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86990" />
+  <B value="-72.326" />
+  <C value="9.7466" />
+  <D value="0.0065456" />
+  <E value="-0.0000047" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="493.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52948" />
+  <B value="-604.61" />
+  <C value="12.115" />
+  <D value="0.00010607" />
+  <E value="-4.9352E-08" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.078528" />
+  <B value="282.59" />
+  <C value="-200.74" />
+  <D value="1071400" />
+  <E value="-5423600" />
+  <Tmin units="K"  value="360" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-309.38" />
+  <B value="14928" />
+  <C value="45.49" />
+  <D value="-0.000044405" />
+  <E value="2" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2284E-07" />
+  <B value="0.79557" />
+  <C value="132.87" />
+  <D value="-5540.3" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.1684" />
+  <B value="-313.75" />
+  <C value="-1.072" />
+  <D value="-0.000058054" />
+  <E value="-0.0000032443" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="470.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-8962900" />
+  <B value="-0.31257" />
+  <C value="2.5313E+09" />
+  <D value="-1.2955E+13" />
+  <Tmin units="K"  value="279.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0064328" />
+  <B value="94.796" />
+  <C value="-3.4232" />
+  <D value="0.001824" />
+  <E value="-0.0000039732" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="470.45" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12781" />
+  <B value="255.9" />
+  <C value="-0.13868" />
+  <D value="0.000028589" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-9.798016" />
+  <B value="-14083.52" />
+  <C value="-5.743104" />
+  <Tmin units="K"  value="278" />
+  <Tmax units="K"  value="720" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.236" />
+  <B value="3826" />
+  <C value="-113.27" />
+  <Tmin units="K"  value="433.1" />
+  <Tmax units="K"  value="647.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.094" />
+  <B value="-0.068649" />
+  <C value="0.000060412" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.193662" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.361602E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="378.5562" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="57.88" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0334" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.11071" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.48683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0559089" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.41" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.25" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.48683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="33703.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0559089" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="14"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-21-1" />
+<Smiles name="SMILES"  value="OCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1820" />
+<CompoundID name="Name"  value="Dimethyl sulfide" />
+<StructureFormula name="Structure"  value="(CH3)2S" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="503" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.201" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="310.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.88" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.88" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.86415" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07377" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.19" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.374E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03814" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.724E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7302000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="285850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7984700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87394" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7443E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.669" />
+  <B value="-0.01188" />
+  <Tmin units="K"  value="69.95" />
+  <Tmax units="K"  value="174.88" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1867" />
+  <B value="0.25844" />
+  <C value="503.06" />
+  <D value="0.24773" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="503.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="14.07567" />
+  <B value="-3435.088" />
+  <C value="1.598135" />
+  <D value="-0.0000069451" />
+  <E value="2" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="503.04" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.490637E+07" />
+  <B value="1.721854" />
+  <C value="-2.161256" />
+  <D value="0.932609" />
+  <E value="-0.0179494" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="491.99" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12181" />
+  <B value="1107.6" />
+  <C value="-5.0143" />
+  <D value="0.0082042" />
+  <E value="0.000012693" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="170" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112410" />
+  <B value="-20036" />
+  <C value="201.07" />
+  <D value="-0.63397" />
+  <E value="0.0007177" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56893" />
+  <B value="-682.39" />
+  <C value="12.01" />
+  <D value="0.00013748" />
+  <E value="-5.7442E-08" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11611" />
+  <B value="-141.79" />
+  <C value="-13.232" />
+  <D value="-216.03" />
+  <E value="14.289" />
+  <Tmin units="K"  value="251.5" />
+  <Tmax units="K"  value="1760.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.044" />
+  <B value="992.97" />
+  <C value="0.60378" />
+  <D value="0.0000010306" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8631E-07" />
+  <B value="0.62748" />
+  <C value="355.22" />
+  <D value="-11800" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10006" />
+  <B value="-155.98" />
+  <C value="-0.57159" />
+  <D value="-0.0045066" />
+  <E value="-0.0000087305" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026184" />
+  <B value="0.91507" />
+  <C value="780.75" />
+  <D value="-32167" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021126" />
+  <B value="18.794" />
+  <C value="-2.708" />
+  <D value="-0.00021089" />
+  <E value="-0.0000043376" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="485.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29392" />
+  <B value="145.75" />
+  <C value="0.049554" />
+  <D value="-0.00013569" />
+  <E value="5.7869E-08" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.185871" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.142" />
+  <B value="2682.7" />
+  <C value="-31.19" />
+  <Tmin units="K"  value="303.88" />
+  <Tmax units="K"  value="451.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.3718" />
+  <B value="-0.037395" />
+  <C value="0.000048797" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20227" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.355323E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.2898" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273888" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="68.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.85309" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0291" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.848" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19359" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0730914" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5141" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.216" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7269" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.189279" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18513.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0730914" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="122"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-18-3" />
+<Smiles name="SMILES"  value="CSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1802" />
+<CompoundID name="Name"  value="Ethyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.207" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="308.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="125.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="125.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00113837" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07458" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.363E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.63E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4814000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4975000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79757" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7366E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.608" />
+  <B value="-0.018284" />
+  <Tmin units="K"  value="50.1" />
+  <Tmax units="K"  value="125.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.203" />
+  <B value="0.25909" />
+  <C value="499.16" />
+  <D value="0.26567" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="499.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="65.4773" />
+  <B value="-5020.82" />
+  <C value="-6.678317" />
+  <D value="6.449817E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="499.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.1777E+07" />
+  <B value="0.6898" />
+  <C value="-0.36317" />
+  <D value="-0.097723" />
+  <E value="0.16958" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="479.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14082" />
+  <B value="1399.4" />
+  <C value="-10.378" />
+  <D value="0.036681" />
+  <E value="-0.0000060677" />
+  <Tmin units="K"  value="14" />
+  <Tmax units="K"  value="125.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112430" />
+  <B value="-35384" />
+  <C value="348.44" />
+  <D value="-1.1065" />
+  <E value="0.0012231" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="315.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39403.72" />
+  <B value="-328.0582" />
+  <C value="11.29594" />
+  <D value="0.000950986" />
+  <E value="-3.249647E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11733" />
+  <B value="-135.4" />
+  <C value="-13.776" />
+  <D value="-593.18" />
+  <E value="775.57" />
+  <Tmin units="K"  value="249.5" />
+  <Tmax units="K"  value="1996" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.854" />
+  <B value="753.55" />
+  <C value="0.040849" />
+  <D value="-7.5884E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001695" />
+  <B value="0.75553" />
+  <C value="151.56" />
+  <D value="-5377.8" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021257" />
+  <B value="2.7237" />
+  <C value="-1.42" />
+  <D value="-0.0008779" />
+  <E value="-0.0000018277" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014607" />
+  <B value="0.7033" />
+  <C value="1243.2" />
+  <D value="53588" />
+  <Tmin units="K"  value="308.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.051518" />
+  <B value="-2.7266" />
+  <C value="-2.1105" />
+  <D value="-0.0014355" />
+  <E value="-5.6772E-07" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="479.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32377" />
+  <B value="107.68" />
+  <C value="0.17061" />
+  <D value="-0.0002733" />
+  <E value="1.0909E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.861601" />
+  <B value="-4000" />
+  <C value="-24" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.188" />
+  <B value="2662" />
+  <C value="-32.622" />
+  <Tmin units="K"  value="299.82" />
+  <Tmax units="K"  value="440.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.92662" />
+  <B value="-0.056615" />
+  <C value="0.000088024" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20227" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.219166E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.2589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="68.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.22578" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0292" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.836507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19144" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0746133" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.551747" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.3" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.763226" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003516" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.43784" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192074" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18270.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0746133" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="61"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-08-1" />
+<Smiles name="SMILES"  value="CCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1704" />
+<CompoundID name="Name"  value="Ethylamine" />
+<StructureFormula name="Structure"  value="CH3CH2NH2" />
+<Family name="Family"  value="34" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="456.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1818" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="289.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="151.827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="45.084" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06659" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.336E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03444" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.21E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.715E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.616E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="284800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9350000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91282" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.5874E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="22.309" />
+  <B value="-0.012854" />
+  <Tmin units="K"  value="76.86" />
+  <Tmax units="K"  value="192.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3663" />
+  <B value="0.25297" />
+  <C value="456.4" />
+  <D value="0.27948" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="456.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.5255" />
+  <B value="-6764.221" />
+  <C value="-14.43912" />
+  <D value="0.0000155603" />
+  <E value="2" />
+  <Tmin units="K"  value="190.85" />
+  <Tmax units="K"  value="456.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.2765E+07" />
+  <B value="0.58718" />
+  <C value="-0.33502" />
+  <D value="0.17251" />
+  <E value="-0.0015134" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="456.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19740" />
+  <B value="1233.4" />
+  <C value="-7.495" />
+  <D value="0.02025" />
+  <E value="-7.8895E-11" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129790" />
+  <B value="-12366" />
+  <C value="-31.003" />
+  <D value="0.53709" />
+  <E value="-0.00091494" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="348.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55762" />
+  <B value="-832.71" />
+  <C value="12.632" />
+  <D value="-0.00036845" />
+  <E value="1.1147E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.097539" />
+  <B value="-107.69" />
+  <C value="-12.336" />
+  <D value="-330.4" />
+  <E value="-136.4" />
+  <Tmin units="K"  value="228" />
+  <Tmax units="K"  value="1824" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.853" />
+  <B value="1619.5" />
+  <C value="5.3649" />
+  <D value="-0.000030563" />
+  <E value="2" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="289.73" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0871E-07" />
+  <B value="0.59417" />
+  <C value="255.23" />
+  <D value="-186.42" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.17744" />
+  <B value="585.82" />
+  <C value="-11.165" />
+  <D value="0.043182" />
+  <E value="-0.000095024" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.40679" />
+  <B value="0.005162" />
+  <C value="1280.6" />
+  <D value="1721800" />
+  <Tmin units="K"  value="274.01" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0085203" />
+  <B value="136.14" />
+  <C value="-4.284" />
+  <D value="0.0057402" />
+  <E value="-0.000016476" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="456.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38579" />
+  <B value="17.203" />
+  <C value="0.48199" />
+  <D value="-0.00063681" />
+  <E value="2.5301E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.139524" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.457" />
+  <B value="2460.8" />
+  <C value="-42.073" />
+  <Tmin units="K"  value="275.03" />
+  <Tmax units="K"  value="403.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.14104" />
+  <B value="-0.042353" />
+  <C value="0.000044446" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="289.73" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1772" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.1558E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.8617" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="52.51" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.09415" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0249" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.607317" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28709" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0656335" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.2703" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.084" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.54441" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285061" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19493.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0656335" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-04-7" />
+<Smiles name="SMILES"  value="CCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1774" />
+<CompoundID name="Name"  value="Acrylonitrile" />
+<StructureFormula name="Structure"  value="CH2CHCN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.212" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.214" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="350.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.68289" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="53.0626" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0662367" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.349801" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.464E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.29E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0351" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.837E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.937E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6230000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2803" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.69E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.906" />
+  <B value="-0.012833" />
+  <Tmin units="K"  value="75.85" />
+  <Tmax units="K"  value="189.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0816" />
+  <B value="0.2293" />
+  <C value="535" />
+  <D value="0.28939" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.54771" />
+  <B value="-6259.727" />
+  <C value="-7.785577" />
+  <D value="4.08032E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.224752E+07" />
+  <B value="0.877802" />
+  <C value="-0.432396" />
+  <D value="-0.672186" />
+  <E value="0.607598" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="378880" />
+  <B value="-12940" />
+  <C value="173.11" />
+  <D value="-0.95095" />
+  <E value="0.001872" />
+  <Tmin units="K"  value="109.32" />
+  <Tmax units="K"  value="183.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83847" />
+  <B value="240.59" />
+  <C value="6.8887" />
+  <D value="0.0095277" />
+  <E value="-0.0000046046" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42651" />
+  <B value="-533.04" />
+  <C value="11.728" />
+  <D value="0.00013096" />
+  <E value="-6.2176E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16669" />
+  <B value="-180.08" />
+  <C value="-27.078" />
+  <D value="1693.8" />
+  <E value="-10134" />
+  <Tmin units="K"  value="267.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.5429" />
+  <B value="318.29" />
+  <C value="-1.481" />
+  <D value="-8.3759E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.616E-08" />
+  <B value="0.90278" />
+  <C value="67.424" />
+  <D value="-1672.6" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15669" />
+  <B value="19.22" />
+  <C value="-1.0721" />
+  <D value="0.00025871" />
+  <E value="-0.0000022582" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0012317" />
+  <B value="1.2472" />
+  <C value="60863" />
+  <D value="-1968600" />
+  <Tmin units="K"  value="350.5" />
+  <Tmax units="K"  value="990.5" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031468" />
+  <B value="13.152" />
+  <C value="-2.5363" />
+  <D value="-0.00042782" />
+  <E value="-0.0000025175" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10676.73" />
+  <B value="220.6432" />
+  <C value="-0.156498" />
+  <D value="0.0000460366" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.507" />
+  <B value="-10000" />
+  <C value="-99" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.64" />
+  <B value="4865.9" />
+  <C value="50.629" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="480.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.2702" />
+  <B value="-0.022461" />
+  <C value="0.000022239" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.186019" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.077183E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="135.7552" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259865" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="59.17" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.1648" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0272" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.349801" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0662367" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.31" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.05" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.1533" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.349801" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21555.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0662367" />
+<UnifacVLE name="UNIFAC" >
+  <group id="69"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="49"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="69"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="69"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="68"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-13-1" />
+<Smiles name="SMILES"  value="C=CC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="402" />
+<CompoundID name="Name"  value="Methylacetylene" />
+<StructureFormula name="Structure"  value="CH3CCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="402.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1635" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="250.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="170.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="414.934" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="40.065" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06231" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.214" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.908E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.61E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03327" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.849E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9384E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="248360" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5350000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81477" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8487E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.138" />
+  <B value="-0.01566" />
+  <Tmin units="K"  value="68.18" />
+  <Tmax units="K"  value="170.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5983" />
+  <B value="0.26361" />
+  <C value="402.4" />
+  <D value="0.27835" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.97649" />
+  <B value="-4285.953" />
+  <C value="-7.418705" />
+  <D value="0.000010515" />
+  <E value="2" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4954E+07" />
+  <B value="0.52948" />
+  <C value="0.26449" />
+  <D value="-0.89434" />
+  <E value="0.5174" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="62910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85291" />
+  <B value="38.538" />
+  <C value="6.7428" />
+  <D value="0.016885" />
+  <E value="-0.000022161" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="249.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34169.26" />
+  <B value="-350.7621" />
+  <C value="11.18743" />
+  <D value="0.000684714" />
+  <E value="-2.185041E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.095128" />
+  <B value="-87.916" />
+  <C value="-5.1804" />
+  <D value="-112.52" />
+  <E value="81.984" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="1821" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.91891" />
+  <B value="242.44" />
+  <C value="-1.5439" />
+  <D value="5.0147E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010586" />
+  <B value="0.48791" />
+  <C value="277.58" />
+  <D value="3995.6" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065025" />
+  <B value="-121.87" />
+  <C value="-0.025752" />
+  <D value="-0.0097723" />
+  <E value="0.0000047452" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="249.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00029245" />
+  <B value="0.88088" />
+  <C value="248.57" />
+  <D value="78809" />
+  <Tmin units="K"  value="249.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013277" />
+  <B value="71.214" />
+  <C value="-3.6751" />
+  <D value="0.0034836" />
+  <E value="-0.00001379" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26257" />
+  <B value="101.52" />
+  <C value="0.09703" />
+  <D value="-0.00019256" />
+  <E value="8.3311E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.828" />
+  <B value="-1015" />
+  <C value="-6.09" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="420" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.159" />
+  <B value="2098.1" />
+  <C value="-32.215" />
+  <Tmin units="K"  value="242.07" />
+  <Tmax units="K"  value="353.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2379" />
+  <B value="-0.023223" />
+  <C value="0.000025756" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.17325" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.803432E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.8656" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2703" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.93999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02941" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0227" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.620536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2161" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0596157" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1931" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002337" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.033" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2176" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18393.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0596157" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="53"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="66"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="65"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-99-7" />
+<Smiles name="SMILES"  value="CC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="301" />
+<CompoundID name="Name"  value="Propadiene" />
+<StructureFormula name="Structure"  value="CH2CCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="394" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5250000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1739" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.279" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="238.77" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.87" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="136.87" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.2497" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="40.065" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06095" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.122" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.911E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03084" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.70603E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.905E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.008E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4400000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.52532" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8563E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.735" />
+  <B value="-0.020311" />
+  <Tmin units="K"  value="54.75" />
+  <Tmax units="K"  value="136.87" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.86549" />
+  <B value="0.19732" />
+  <C value="394" />
+  <D value="0.21029" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="392.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.80183" />
+  <B value="-3745.303" />
+  <C value="-6.036523" />
+  <D value="8.205156E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="394" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.54657E+07" />
+  <B value="-3.722436" />
+  <C value="11.45729" />
+  <D value="-12.9266" />
+  <E value="5.522823" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="380.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="62910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78665" />
+  <B value="-12422" />
+  <C value="151.08" />
+  <D value="-0.53356" />
+  <E value="0.00065986" />
+  <Tmin units="K"  value="137.6" />
+  <Tmax units="K"  value="362.6" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34671.52" />
+  <B value="-447.4983" />
+  <C value="11.46556" />
+  <D value="0.000444481" />
+  <E value="-1.470826E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.08647" />
+  <B value="-87.335" />
+  <C value="-4.7756" />
+  <D value="123.57" />
+  <E value="-266.38" />
+  <Tmin units="K"  value="196.5" />
+  <Tmax units="K"  value="1965" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5153" />
+  <B value="310.76" />
+  <C value="-0.034725" />
+  <D value="-0.0000021543" />
+  <E value="2" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3119E-07" />
+  <B value="0.52792" />
+  <C value="129.92" />
+  <D value="8459.5" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06063" />
+  <B value="169.42" />
+  <C value="-4.6941" />
+  <D value="0.014436" />
+  <E value="-0.000036249" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000059663" />
+  <B value="1.0782" />
+  <C value="9.0271" />
+  <D value="65666" />
+  <Tmin units="K"  value="238.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.047886" />
+  <B value="-2.5247" />
+  <C value="-2.1453" />
+  <D value="-0.0026156" />
+  <E value="8.3096E-07" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="380.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28294" />
+  <B value="52.14" />
+  <C value="0.28169" />
+  <D value="-0.00042512" />
+  <E value="1.7968E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.588" />
+  <B value="-1610" />
+  <C value="-9.66" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="400" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.034" />
+  <B value="2061.4" />
+  <C value="-22.057" />
+  <Tmin units="K"  value="236.75" />
+  <Tmax units="K"  value="353.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.1491" />
+  <B value="-0.021234" />
+  <C value="0.000029507" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1655" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.818957E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.7674" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.93999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.7583" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0221" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.655593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.143" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0604292" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.7917" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.528" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.79629" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3125" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17551" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0604292" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="463-49-0" />
+<Smiles name="SMILES"  value="C=C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="202" />
+<CompoundID name="Name"  value="Propylene" />
+<StructureFormula name="Structure"  value="CH2CHCH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="364.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.185" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.281" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="225.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="87.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="87.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00117" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="42.0797" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0832412" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.137588" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.2311E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="11890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03408" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.023E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.264E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="267000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2936000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.9262E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.846" />
+  <B value="-0.020946" />
+  <Tmin units="K"  value="73.15" />
+  <Tmax units="K"  value="88.1" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98129" />
+  <B value="0.22226" />
+  <C value="365.58" />
+  <D value="0.24039" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365.57" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.10362" />
+  <B value="-3330.452" />
+  <C value="-5.40588" />
+  <D value="0.0000093641" />
+  <E value="2" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365.57" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7525E+07" />
+  <B value="0.61217" />
+  <C value="-0.41646" />
+  <D value="0.083772" />
+  <E value="0.12092" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1062" />
+  <B value="-87.684" />
+  <C value="46.783" />
+  <D value="-0.8344" />
+  <E value="0.0046648" />
+  <Tmin units="K"  value="14" />
+  <Tmax units="K"  value="87.89" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79790" />
+  <B value="300.8" />
+  <C value="5.1342" />
+  <D value="0.0095615" />
+  <E value="0.000012777" />
+  <Tmin units="K"  value="87.85" />
+  <Tmax units="K"  value="340" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38965.36" />
+  <B value="-516.3838" />
+  <C value="11.75322" />
+  <D value="0.000509119" />
+  <E value="-1.771348E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.10916" />
+  <B value="-86.745" />
+  <C value="-4.9899" />
+  <D value="455.7" />
+  <E value="-924.7" />
+  <Tmin units="K"  value="182.43" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-54.05485" />
+  <B value="1437.773" />
+  <C value="7.536247" />
+  <D value="-0.0000342733" />
+  <E value="2" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.3873E-07" />
+  <B value="0.54213" />
+  <C value="262.33" />
+  <D value="-108.51" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.044587" />
+  <B value="22.061" />
+  <C value="-1.744" />
+  <D value="0.0015214" />
+  <E value="-0.0000078162" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="340.49" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000045373" />
+  <B value="1.2" />
+  <C value="415.83" />
+  <D value="2757.2" />
+  <Tmin units="K"  value="225.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012171" />
+  <B value="10.886" />
+  <C value="-2.9978" />
+  <D value="-0.00044205" />
+  <E value="-0.0000097257" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="364.85" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5083.56" />
+  <B value="225.639" />
+  <C value="-0.0999265" />
+  <D value="0.0000133106" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.10663" />
+  <B value="-5950" />
+  <C value="-35.7" />
+  <Tmin units="K"  value="208.5945" />
+  <Tmax units="K"  value="378.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.886" />
+  <B value="1932.7" />
+  <C value="-18.939" />
+  <Tmin units="K"  value="219.08" />
+  <Tmax units="K"  value="327.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.81493" />
+  <B value="-0.05511" />
+  <C value="0.000087429" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.18287" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.877396E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.8143" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2785" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="61.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.10396" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0249" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.520955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1455" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.068956" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.25" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.02" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006163" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.14989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1477" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13152.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.068956" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-07-1" />
+<Smiles name="SMILES"  value="C=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1051" />
+<CompoundID name="Name"  value="Acetone" />
+<StructureFormula name="Structure"  value="CH3COCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.209" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="329.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.78509" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.08" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07394" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.307" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.746E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.61E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.157E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.513E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5774000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97946" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.659E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.677" />
+  <B value="1.103E-09" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="183.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1051" />
+  <B value="0.24556" />
+  <C value="508.21" />
+  <D value="0.27409" />
+  <Tmin units="K"  value="178" />
+  <Tmax units="K"  value="508.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.77713" />
+  <B value="-5752.936" />
+  <C value="-7.680083" />
+  <D value="6.83076E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="508.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6943E+07" />
+  <B value="3.4736" />
+  <C value="-8.9271" />
+  <D value="10.062" />
+  <E value="-4.1656" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="508.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13993" />
+  <B value="1377" />
+  <C value="-8.1059" />
+  <D value="0.029271" />
+  <E value="-0.00004792" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="178.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107130" />
+  <B value="725.57" />
+  <C value="0.95296" />
+  <D value="0.025981" />
+  <E value="-0.00001439" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52915" />
+  <B value="-669.27" />
+  <C value="12.201" />
+  <D value="0.00012839" />
+  <E value="-5.8844E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11111" />
+  <B value="-97.677" />
+  <C value="-32.713" />
+  <D value="4172.3" />
+  <E value="-24006" />
+  <Tmin units="K"  value="254.1" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.064" />
+  <B value="1000.7" />
+  <C value="0.45349" />
+  <D value="3.9456E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1012E-08" />
+  <B value="0.97616" />
+  <C value="23.042" />
+  <D value="14.834" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.01013" />
+  <B value="-95.32" />
+  <C value="-0.21151" />
+  <D value="-0.0052616" />
+  <E value="0.0000023043" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-26.882" />
+  <B value="0.9036" />
+  <C value="-1.2095E+08" />
+  <D value="-6.0879E+08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036769" />
+  <B value="-1.4835" />
+  <C value="-2.315" />
+  <D value="-0.0012473" />
+  <E value="-0.000001404" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="490.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42620" />
+  <B value="12.563" />
+  <C value="0.4765" />
+  <D value="-0.00059673" />
+  <E value="2.2682E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-21.42358" />
+  <B value="9644.46" />
+  <C value="2.243534" />
+  <D value="-0.00962352" />
+  <E value="1" />
+  <Tmin units="K"  value="294" />
+  <Tmax units="K"  value="508" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.434" />
+  <B value="2850.7" />
+  <C value="-41.681" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="456.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.32411" />
+  <B value="-0.042986" />
+  <C value="0.000056727" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20983" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.5E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="549" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27474" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0289" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3149" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0738386" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5735" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.336" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.27841" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3099" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19729.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0738386" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-64-1" />
+<Smiles name="SMILES"  value="CC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1302" />
+<CompoundID name="Name"  value="Ethyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH2CH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="327.47" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="193.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.1186" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08093" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.282" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.963E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04274" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.44E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.883E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.031E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="328200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9204800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91636" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.50696E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.766" />
+  <B value="-0.010171" />
+  <Tmin units="K"  value="77.42" />
+  <Tmax units="K"  value="193.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85568" />
+  <B value="0.22882" />
+  <C value="508.5" />
+  <D value="0.23792" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.04518" />
+  <B value="-5678.642" />
+  <C value="-7.031396" />
+  <D value="0.0000050057" />
+  <E value="2" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9813E+07" />
+  <B value="2.1931" />
+  <C value="-4.6587" />
+  <D value="4.7089" />
+  <E value="-1.7696" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="104870" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115910" />
+  <B value="228.3" />
+  <C value="4.0783" />
+  <D value="0.027366" />
+  <E value="-0.000029781" />
+  <Tmin units="K"  value="254.2" />
+  <Tmax units="K"  value="374.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52378" />
+  <B value="-459.08" />
+  <C value="11.875" />
+  <D value="0.00065506" />
+  <E value="-2.4832E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12511" />
+  <B value="-132.24" />
+  <C value="-21.864" />
+  <D value="-2112.2" />
+  <E value="1102.8" />
+  <Tmin units="K"  value="254.2" />
+  <Tmax units="K"  value="1779.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9483" />
+  <B value="848.56" />
+  <C value="-0.31567" />
+  <D value="2.8582E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="245" />
+  <Tmax units="K"  value="345" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.0691E-07" />
+  <B value="0.60378" />
+  <C value="450.04" />
+  <D value="-20466" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.030927" />
+  <B value="19.999" />
+  <C value="-1.4911" />
+  <D value="-0.000052048" />
+  <E value="-0.0000024111" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="381.39" />
+  <B value="0.9159" />
+  <C value="1.8E+09" />
+  <D value="-1.1462E+10" />
+  <Tmin units="K"  value="278.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02094" />
+  <B value="32.394" />
+  <C value="-2.9299" />
+  <D value="0.00035555" />
+  <E value="-0.0000045837" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28653" />
+  <B value="223.54" />
+  <C value="-0.054573" />
+  <D value="-0.0000084089" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.722828" />
+  <B value="-3550" />
+  <C value="-21.3" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.231" />
+  <B value="2723.8" />
+  <C value="-46.87" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="453.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.5155" />
+  <B value="-0.032057" />
+  <C value="0.000035967" />
+  <Tmin units="K"  value="245" />
+  <Tmax units="K"  value="345" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22605" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.82913E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.4384" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.06979" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0317" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.928963" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28499" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0808277" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8175" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.576" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.17409" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18938.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0808277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-94-4" />
+<Smiles name="SMILES"  value="CCOC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1312" />
+<CompoundID name="Name"  value="Methyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="506.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.228" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="330.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.01703" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07989" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.996E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04254" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.44E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.119E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.242E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="319800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7970000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96569" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.461E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.35" />
+  <B value="-0.011504" />
+  <Tmin units="K"  value="70.06" />
+  <Tmax units="K"  value="175.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98331" />
+  <B value="0.2428" />
+  <C value="506.86" />
+  <D value="0.2549" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.01817" />
+  <B value="-6288.581" />
+  <C value="-9.185862" />
+  <D value="7.595367E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9929E+07" />
+  <B value="0.79197" />
+  <C value="-0.73136" />
+  <D value="0.37429" />
+  <E value="-0.019974" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="104870" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="6314.4" />
+  <B value="680.3" />
+  <C value="4.1767" />
+  <D value="0.026148" />
+  <E value="-0.000027341" />
+  <Tmin units="K"  value="207.38" />
+  <Tmax units="K"  value="373.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62235" />
+  <B value="-685.05" />
+  <C value="12.348" />
+  <D value="0.00012363" />
+  <E value="-8.5641E-08" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12428" />
+  <B value="-150.24" />
+  <C value="-26.001" />
+  <D value="-830.67" />
+  <E value="-2742.3" />
+  <Tmin units="K"  value="253.4" />
+  <Tmax units="K"  value="1773.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="11.12" />
+  <B value="-100.13" />
+  <C value="-3.2745" />
+  <D value="-5.3051E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013226" />
+  <B value="0.48849" />
+  <C value="504.21" />
+  <D value="4.2341" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.28416" />
+  <B value="27.186" />
+  <C value="-0.94457" />
+  <D value="0.00083974" />
+  <E value="-0.0000024412" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="386.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-23257" />
+  <B value="-0.1738" />
+  <C value="1.0287E+07" />
+  <D value="-6.9243E+10" />
+  <Tmin units="K"  value="276.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.053249" />
+  <B value="2.5722" />
+  <C value="-2.2027" />
+  <D value="-0.00085349" />
+  <E value="-0.0000011835" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35270" />
+  <B value="119.63" />
+  <C value="0.27754" />
+  <D value="-0.0004099" />
+  <E value="1.6055E-07" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.348193" />
+  <B value="-3350" />
+  <C value="-20.1" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.435" />
+  <B value="2829.7" />
+  <C value="-44.587" />
+  <Tmin units="K"  value="305.73" />
+  <Tmax units="K"  value="454.22" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8922" />
+  <B value="-0.016855" />
+  <C value="0.000011239" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.04E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="418" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.939333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32049" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0798903" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.58" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.326" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19435.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0798903" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-20-9" />
+<Smiles name="SMILES"  value="CC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1253" />
+<CompoundID name="Name"  value="Propionic acid" />
+<StructureFormula name="Structure"  value="CH3CH2COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="604" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.233" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.207" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="252.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="252.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.1" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07497" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.544" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.107E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04342" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.535E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.568E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="294900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.066E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7827" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.395E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.159" />
+  <B value="-0.0088316" />
+  <Tmin units="K"  value="100.98" />
+  <Tmax units="K"  value="252.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88103" />
+  <B value="0.22848" />
+  <C value="612.66" />
+  <D value="0.25898" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="612.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.42" />
+  <B value="-7261.2" />
+  <C value="-4.9024" />
+  <D value="0.0000010406" />
+  <E value="2" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8878E+07" />
+  <B value="3.7167" />
+  <C value="-10.822" />
+  <D value="11.498" />
+  <E value="-4.1176" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14676" />
+  <B value="1223.1" />
+  <C value="-7.0075" />
+  <D value="0.021772" />
+  <E value="-0.000020423" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="252.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120710" />
+  <B value="704.7" />
+  <C value="1.1886" />
+  <D value="0.028883" />
+  <E value="-0.000020278" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47961" />
+  <B value="-474.81" />
+  <C value="12.167" />
+  <D value="0.00020648" />
+  <E value="-6.6213E-08" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-53.41646" />
+  <B value="2724.985" />
+  <C value="6.7143" />
+  <D value="-9.670276E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6155E-08" />
+  <B value="1.0459" />
+  <C value="-115.32" />
+  <D value="27680" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067757" />
+  <B value="-235.87" />
+  <C value="-0.022659" />
+  <D value="-0.0065033" />
+  <E value="0.0000026666" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="543.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.004145" />
+  <B value="0.70902" />
+  <C value="13255" />
+  <D value="-4962900" />
+  <Tmin units="K"  value="414.32" />
+  <Tmax units="K"  value="616.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010977" />
+  <B value="146.33" />
+  <C value="-4.0999" />
+  <D value="0.0031834" />
+  <E value="-0.0000071046" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8861" />
+  <B value="324.07" />
+  <C value="-0.19078" />
+  <D value="0.000043643" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.46964" />
+  <B value="-1550" />
+  <C value="-9.3" />
+  <Tmin units="K"  value="268.5945" />
+  <Tmax units="K"  value="438.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.83" />
+  <B value="4099" />
+  <C value="-51.622" />
+  <Tmin units="K"  value="362.46" />
+  <Tmax units="K"  value="527.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.81021" />
+  <B value="-0.03741" />
+  <C value="0.000039093" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230362" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.600915E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="135.9701" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="4.20003" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0303" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.52" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0749523" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.58" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-9.25219" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.52" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19130.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0749523" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-09-4" />
+<Smiles name="SMILES"  value="CCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1876" />
+<CompoundID name="Name"  value="N,n-dimethylformamide" />
+<StructureFormula name="Structure"  value="HCON(CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="649.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26199" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.214" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="212.72" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="212.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.195325" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="73.0938" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0773903" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.31771" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.027E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.27E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04681" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.917E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.84E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="326000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.615E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.19402" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.78871E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.71" />
+  <B value="-0.0092912" />
+  <Tmin units="K"  value="85.09" />
+  <Tmax units="K"  value="212.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65216" />
+  <B value="0.20032" />
+  <C value="649.6" />
+  <D value="0.24418" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.99879" />
+  <B value="-7311.388" />
+  <C value="-6.749791" />
+  <D value="3.063845E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7496E+07" />
+  <B value="0.2466" />
+  <C value="0.21619" />
+  <D value="-0.11587" />
+  <E value="0.026126" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21466" />
+  <B value="82.722" />
+  <C value="-0.65111" />
+  <D value="0.003066" />
+  <E value="-0.0000053042" />
+  <Tmin units="K"  value="83" />
+  <Tmax units="K"  value="208" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141440" />
+  <B value="162.91" />
+  <C value="4.0696" />
+  <D value="0.019381" />
+  <E value="-0.000013063" />
+  <Tmin units="K"  value="273.82" />
+  <Tmax units="K"  value="466.44" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68728" />
+  <B value="-846.07" />
+  <C value="13.139" />
+  <D value="-0.00064688" />
+  <E value="1.6133E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30845" />
+  <B value="-426.73" />
+  <C value="-16.98" />
+  <D value="-72873" />
+  <E value="162690" />
+  <Tmin units="K"  value="298.28" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.089031" />
+  <B value="826.091" />
+  <C value="-0.0843389" />
+  <D value="-3.479212E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000034602" />
+  <B value="0.37991" />
+  <C value="1156.9" />
+  <D value="8715.8" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14084" />
+  <B value="-2496" />
+  <C value="20.244" />
+  <D value="-0.064914" />
+  <E value="0.000049356" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015205" />
+  <B value="0.35461" />
+  <C value="594.92" />
+  <D value="741220" />
+  <Tmin units="K"  value="425.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.069456" />
+  <B value="-10.189" />
+  <C value="-1.894" />
+  <D value="-0.0010897" />
+  <E value="-1.2078E-07" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6716" />
+  <B value="349.57" />
+  <C value="-0.18657" />
+  <D value="0.000033656" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.780432" />
+  <B value="-10711.33" />
+  <C value="-45.18602" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="649" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.586" />
+  <B value="3764.7" />
+  <C value="-50.993" />
+  <Tmin units="K"  value="396.67" />
+  <Tmax units="K"  value="580.62" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.0021666" />
+  <B value="-0.035024" />
+  <C value="0.000037609" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.24059" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.594689E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="164.8347" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.74822" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0342" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.953395" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3672" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0773743" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.0856" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.60584" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.375516" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23964.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0773743" />
+<UnifacVLE name="UNIFAC" >
+  <group id="72"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="72"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="72"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="72"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="68-12-2" />
+<Smiles name="SMILES"  value="CN(C)C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3" />
+<CompoundID name="Name"  value="Propane" />
+<StructureFormula name="Structure"  value="CH3CH2CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="369.83" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4248000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="231.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="85.47" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="85.47" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0001685" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.097" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07487" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.152" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.431E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03757" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.0468E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.439E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="270200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3524000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75108" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.04311E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.861" />
+  <B value="-0.020332" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="85.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3186" />
+  <B value="0.27005" />
+  <C value="369.86" />
+  <D value="0.27852" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="369.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.2725" />
+  <B value="-3396.946" />
+  <C value="-5.423393" />
+  <D value="8.953731E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="371.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0459E+07" />
+  <B value="1.2001" />
+  <C value="-2.1107" />
+  <D value="1.9732" />
+  <E value="-0.65316" />
+  <Tmin units="K"  value="85.44" />
+  <Tmax units="K"  value="369.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9928.1" />
+  <B value="957.89" />
+  <C value="-0.77533" />
+  <D value="-0.03376" />
+  <E value="0.00014632" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="84" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87486" />
+  <B value="-13371" />
+  <C value="156.92" />
+  <D value="-0.5459" />
+  <E value="0.00068504" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37840.4" />
+  <B value="-445.5789" />
+  <C value="11.83871" />
+  <D value="0.000653764" />
+  <E value="-2.200137E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12162" />
+  <B value="-107.8" />
+  <C value="-3.8081" />
+  <D value="-15.233" />
+  <E value="-13.005" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="1849.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-35.23159" />
+  <B value="966.1472" />
+  <C value="4.395026" />
+  <D value="-0.0000255079" />
+  <E value="2" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7422E-08" />
+  <B value="0.90416" />
+  <C value="-4.7484" />
+  <D value="478.57" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02937" />
+  <B value="-16.323" />
+  <C value="-1.3313" />
+  <D value="-0.0012596" />
+  <E value="-0.000011206" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1.139" />
+  <B value="0.10904" />
+  <C value="-9898.6" />
+  <D value="-7669600" />
+  <Tmin units="K"  value="231.11" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093557" />
+  <B value="17.245" />
+  <C value="-3.1909" />
+  <D value="0.00024043" />
+  <E value="-0.000011944" />
+  <Tmin units="K"  value="85.44" />
+  <Tmax units="K"  value="369.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="31986" />
+  <B value="42.662" />
+  <C value="0.49978" />
+  <D value="-0.00065626" />
+  <E value="0.000000256" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.04" />
+  <B value="2072.9" />
+  <C value="-13.18" />
+  <Tmin units="K"  value="222" />
+  <Tmax units="K"  value="332.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.343" />
+  <B value="-0.040027" />
+  <C value="0.00005517" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20008" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.114825E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="234.5244" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2763" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="66.17999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.31941" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0268" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.506678" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1532" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0757055" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.4766" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.236" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.236" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003791" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59617" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1538" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13091.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.084" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-98-6" />
+<Smiles name="SMILES"  value="CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1104" />
+<CompoundID name="Name"  value="Isopropanol" />
+<StructureFormula name="Structure"  value="CH3CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4762000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="355.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0363946" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07692" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.665" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.807E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04216" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.727E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.7347E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5410000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1433" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.83E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.573" />
+  <B value="-0.011338" />
+  <Tmin units="K"  value="74.11" />
+  <Tmax units="K"  value="185.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1898" />
+  <B value="0.26648" />
+  <C value="508.3" />
+  <D value="0.23986" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.70856" />
+  <B value="-7630.115" />
+  <C value="-7.63517" />
+  <D value="9.965114E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.100995E+08" />
+  <B value="4.1961" />
+  <C value="-10.70959" />
+  <D value="11.69444" />
+  <E value="-4.625499" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5999" />
+  <B value="747.79" />
+  <C value="1.6541" />
+  <D value="-0.049958" />
+  <E value="0.0001963" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="185.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-188260" />
+  <B value="277.99" />
+  <C value="9.4459" />
+  <D value="0.010702" />
+  <E value="-0.0000091964" />
+  <Tmin units="K"  value="185.26" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52738" />
+  <B value="-555.28" />
+  <C value="12.347" />
+  <D value="0.000094247" />
+  <E value="-4.5945E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.085006" />
+  <B value="-95.666" />
+  <C value="-21.924" />
+  <D value="-3475.4" />
+  <E value="-29704" />
+  <Tmin units="K"  value="279" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.4407" />
+  <B value="2259.7" />
+  <C value="-1.1149" />
+  <D value="0.0000002963" />
+  <E value="2" />
+  <Tmin units="K"  value="187.35" />
+  <Tmax units="K"  value="355.41" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9931E-07" />
+  <B value="0.72329" />
+  <C value="178.01" />
+  <D value="-15.318" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15761" />
+  <B value="49.41" />
+  <C value="-1.6579" />
+  <D value="0.0019566" />
+  <E value="-0.0000034939" />
+  <Tmin units="K"  value="183.65" />
+  <Tmax units="K"  value="410.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0028843" />
+  <B value="0.91609" />
+  <C value="11082" />
+  <D value="-222500" />
+  <Tmin units="K"  value="278.59" />
+  <Tmax units="K"  value="995.41" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0068771" />
+  <B value="-355.64" />
+  <C value="0.079386" />
+  <D value="-0.0097522" />
+  <E value="0.0000049723" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="355.41" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27720" />
+  <B value="156.75" />
+  <C value="0.30298" />
+  <D value="-0.00050843" />
+  <E value="2.1144E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-22.81" />
+  <B value="-10000" />
+  <C value="-60.54" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.151" />
+  <B value="2836.6" />
+  <C value="-88.244" />
+  <Tmin units="K"  value="305.37" />
+  <Tmax units="K"  value="457.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="14.129" />
+  <B value="-0.10641" />
+  <C value="0.00012806" />
+  <Tmin units="K"  value="187.35" />
+  <Tmax units="K"  value="355.41" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23883" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.64E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="518" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2493" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.2725" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0368" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.786" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.66368" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0768988" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.78" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.89" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.140334" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.269059" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-7.9945" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.7238" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23408.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0768988" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="16"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-63-0" />
+<Smiles name="SMILES"  value="CC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1103" />
+<CompoundID name="Name"  value="1-propanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)2OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.78" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5175000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="146.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="146.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.69121E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07514" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.629" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.552E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.599E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="322470" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5372000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1406" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.84381E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.17" />
+  <B value="-0.0024097" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="156.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1537" />
+  <B value="0.26188" />
+  <C value="536.78" />
+  <D value="0.23549" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.3971" />
+  <B value="-10434.27" />
+  <C value="-17.45829" />
+  <D value="0.0000113246" />
+  <E value="2" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.36461E+07" />
+  <B value="3.338812" />
+  <C value="-9.831137" />
+  <D value="11.8901" />
+  <E value="-4.905709" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11319" />
+  <B value="1041" />
+  <C value="-3.5625" />
+  <D value="-0.011478" />
+  <E value="0.00010513" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="148.74" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100520" />
+  <B value="125.3" />
+  <C value="4.7194" />
+  <D value="0.024513" />
+  <E value="-0.000019669" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56681" />
+  <B value="-627.22" />
+  <C value="12.379" />
+  <D value="0.00012228" />
+  <E value="-5.0293E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037896" />
+  <B value="-44.849" />
+  <C value="-35.117" />
+  <D value="410.57" />
+  <E value="-27077" />
+  <Tmin units="K"  value="295.19" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-98.08798" />
+  <B value="4904.749" />
+  <C value="13.57131" />
+  <D value="-0.0000219968" />
+  <E value="2" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="370.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9322E-07" />
+  <B value="0.54936" />
+  <C value="416.77" />
+  <D value="-100.81" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.076645" />
+  <B value="-189.91" />
+  <C value="-0.13475" />
+  <D value="-0.0069283" />
+  <E value="0.0000033645" />
+  <Tmin units="K"  value="164.06" />
+  <Tmax units="K"  value="380.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-453.4" />
+  <B value="0.64532" />
+  <C value="-2.843E+08" />
+  <D value="-2.8865E+10" />
+  <Tmin units="K"  value="275.28" />
+  <Tmax units="K"  value="720.25" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044121" />
+  <B value="-393.81" />
+  <C value="0.44289" />
+  <D value="-0.010936" />
+  <E value="0.0000062593" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="370.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39178" />
+  <B value="54.585" />
+  <C value="0.52464" />
+  <D value="-0.00069351" />
+  <E value="2.6739E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.3" />
+  <B value="-10000" />
+  <C value="-30" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.11" />
+  <B value="2968.4" />
+  <C value="-89.944" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="482.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="16.105" />
+  <B value="-0.12454" />
+  <C value="0.00016492" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="370.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23623" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.71E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="495" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2451" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.198" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.038" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.62489" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0749393" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.78" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.89" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.169684" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.188769" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.4989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.623" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24557.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0749393" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="15"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-23-8" />
+<Smiles name="SMILES"  value="CCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1703" />
+<CompoundID name="Name"  value="Trimethylamine" />
+<StructureFormula name="Structure"  value="(CH3)3N" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="433.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4075000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="156.08" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="156.08" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.92058" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="59.111" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09428" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.206243" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.691E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.04E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04534" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.431E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.899E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="287000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6544000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78024" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2449E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.673" />
+  <B value="-0.011817" />
+  <Tmin units="K"  value="62.43" />
+  <Tmax units="K"  value="156.08" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67928" />
+  <B value="0.21649" />
+  <C value="433.3" />
+  <D value="0.20925" />
+  <Tmin units="K"  value="156" />
+  <Tmax units="K"  value="433.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.254" />
+  <B value="-5770.536" />
+  <C value="-14.1719" />
+  <D value="0.0000238614" />
+  <E value="2" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="433.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.743116E+07" />
+  <B value="0.966273" />
+  <C value="0.752593" />
+  <D value="-2.762744" />
+  <E value="1.513109" />
+  <Tmin units="K"  value="156.07" />
+  <Tmax units="K"  value="433.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12954" />
+  <B value="1371.3" />
+  <C value="-11.233" />
+  <D value="0.058409" />
+  <E value="-0.00010157" />
+  <Tmin units="K"  value="11.87" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112140" />
+  <B value="1253.3" />
+  <C value="-12.905" />
+  <D value="0.10424" />
+  <E value="-0.00013798" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="276.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65203" />
+  <B value="-794.87" />
+  <C value="12.953" />
+  <D value="-0.00031634" />
+  <E value="6.4426E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15207" />
+  <B value="-148.22" />
+  <C value="-10.138" />
+  <D value="-64.001" />
+  <E value="-71.395" />
+  <Tmin units="K"  value="216.6" />
+  <Tmax units="K"  value="1732.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.9961" />
+  <B value="-126.46" />
+  <C value="-3.1956" />
+  <D value="-6.7828E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001161" />
+  <B value="0.48519" />
+  <C value="364.43" />
+  <D value="10928" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0043132" />
+  <B value="-14.875" />
+  <C value="-1.2529" />
+  <D value="-0.0019969" />
+  <E value="-0.0000017575" />
+  <Tmin units="K"  value="156.07" />
+  <Tmax units="K"  value="276.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00027205" />
+  <B value="0.90104" />
+  <C value="140.75" />
+  <D value="139110" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074159" />
+  <B value="80.747" />
+  <C value="-4.002" />
+  <D value="0.0040961" />
+  <E value="-0.000015382" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="433.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13802" />
+  <B value="231.97" />
+  <C value="0.20928" />
+  <D value="-0.00042379" />
+  <E value="1.8209E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.800705" />
+  <B value="-1250" />
+  <C value="-7.5" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.042" />
+  <B value="2412.6" />
+  <C value="-22.718" />
+  <Tmin units="K"  value="260.65" />
+  <Tmax units="K"  value="389.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.3856" />
+  <B value="-0.019318" />
+  <C value="0.000016915" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.24421" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.789818E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="240.589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.03" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15515" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0322" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.640181" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0902163" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.99" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.64" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.42677" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.205" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15311.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0902163" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="35"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="35"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="34"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-50-3" />
+<Smiles name="SMILES"  value="CN(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="418" />
+<CompoundID name="Name"  value="Vinylacetylene" />
+<StructureFormula name="Structure"  value="CH2CHCCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="454" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.205" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="278.25" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="52.0746" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0769826" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.106852" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04001" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.66E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.046E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.06E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="279400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.62332" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.362E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.306" />
+  <B value="-0.0011393" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="179.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2594" />
+  <B value="0.25931" />
+  <C value="454" />
+  <D value="0.29553" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.0442" />
+  <B value="-5001.865" />
+  <C value="-8.984128" />
+  <D value="0.0000129415" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="454" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.313507E+07" />
+  <B value="-0.0105563" />
+  <C value="0.71867" />
+  <D value="-0.291074" />
+  <E value="0.0215152" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="103140" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68382" />
+  <B value="-63.514" />
+  <C value="9.912" />
+  <D value="0.0031404" />
+  <E value="-1.0307E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="278.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49981" />
+  <B value="-581.7" />
+  <C value="12.052" />
+  <D value="-0.00010825" />
+  <E value="3.173E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12452" />
+  <B value="-135.51" />
+  <C value="-8.7131" />
+  <D value="845.68" />
+  <E value="-2148" />
+  <Tmin units="K"  value="227" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.2453" />
+  <B value="320.68" />
+  <C value="-1.2895" />
+  <D value="-5.6512E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="364" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7484E-07" />
+  <B value="0.5304" />
+  <C value="230.17" />
+  <D value="-0.0024795" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.05887" />
+  <B value="-27.718" />
+  <C value="-0.92317" />
+  <D value="-0.0023581" />
+  <E value="1.5773E-07" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="278.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000054197" />
+  <B value="1.0632" />
+  <C value="-70.589" />
+  <D value="90617" />
+  <Tmin units="K"  value="278.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12991" />
+  <B value="-13.795" />
+  <C value="-1.4402" />
+  <D value="-0.0017832" />
+  <E value="0.0000011318" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6742.516" />
+  <B value="283.8803" />
+  <C value="-0.226384" />
+  <D value="0.0000745714" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.717" />
+  <B value="2173" />
+  <C value="-42.271" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="454" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.5937" />
+  <B value="-0.024995" />
+  <C value="0.000028281" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="364" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.19966" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.439658E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.3258" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281184" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.84" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15143" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.028" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.688432" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.13346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0740148" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.526" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.94" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.68289" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.11815" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17035" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0740148" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="8"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="66"  value="1" />
+  <group id="8"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="65"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="689-97-4" />
+<Smiles name="SMILES"  value="C=CC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1821" />
+<CompoundID name="Name"  value="Thiophene" />
+<StructureFormula name="Structure"  value="-S(CH)4-" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="580" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="357.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.94" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.94" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="185.638" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.142" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07947" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.186" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.781E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04354" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.05E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.1544E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.267E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="278400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5085600" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84548" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4352E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.705" />
+  <B value="-0.010977" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="234.94" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73395" />
+  <B value="0.21494" />
+  <C value="580" />
+  <D value="0.2288" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.26733" />
+  <B value="-6809.188" />
+  <C value="-9.975872" />
+  <D value="0.0000074967" />
+  <E value="2" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="579.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.87E+07" />
+  <B value="0.35468" />
+  <C value="0.57965" />
+  <D value="-0.92941" />
+  <E value="0.39593" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9558700" />
+  <B value="185260" />
+  <C value="-1322.1" />
+  <D value="4.147" />
+  <E value="-0.0048149" />
+  <Tmin units="K"  value="169.71" />
+  <Tmax units="K"  value="266.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84631" />
+  <B value="-77.085" />
+  <C value="9.4174" />
+  <D value="0.0060386" />
+  <E value="-0.0000042543" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="357.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31580" />
+  <B value="-546.03" />
+  <C value="12.548" />
+  <D value="-0.00032144" />
+  <E value="9.6227E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14506" />
+  <B value="-254.09" />
+  <C value="-14.715" />
+  <D value="-955.11" />
+  <E value="2193.7" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.561" />
+  <B value="1306.6" />
+  <C value="0.66009" />
+  <D value="3.2071E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010722" />
+  <B value="0.54275" />
+  <C value="557.27" />
+  <D value="2874.5" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.024119" />
+  <B value="-20.319" />
+  <C value="-1.5338" />
+  <D value="-0.0014869" />
+  <E value="-6.6677E-07" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013168" />
+  <B value="0.98328" />
+  <C value="649.4" />
+  <D value="-5290.1" />
+  <Tmin units="K"  value="357.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069688" />
+  <B value="140.5" />
+  <C value="-4.0531" />
+  <D value="0.0044052" />
+  <E value="-0.000011144" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25467" />
+  <B value="12.638" />
+  <C value="0.79104" />
+  <D value="-0.0011748" />
+  <E value="5.0619E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.19455" />
+  <B value="-1400" />
+  <C value="-8.4" />
+  <Tmin units="K"  value="269.7056" />
+  <Tmax units="K"  value="439.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.049" />
+  <B value="2962.4" />
+  <C value="-46.375" />
+  <Tmin units="K"  value="351.52" />
+  <Tmax units="K"  value="513.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.34111" />
+  <B value="-0.034802" />
+  <C value="0.000037492" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22777" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.880023E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="265.0838" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64559" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0333" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.071" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19336" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0794773" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8569" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.14" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5664" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192846" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20219.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0794773" />
+<UnifacVLE name="UNIFAC" >
+  <group id="106"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="106"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="106"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="110-02-1" />
+<Smiles name="SMILES"  value="S1C=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1775" />
+<CompoundID name="Name"  value="Methacrylonitrile" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="554" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.265" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.223" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="237.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="237.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="268.868" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="67.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0844058" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301271" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.172E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04532" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.803E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.64E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="223800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92207" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.243E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.205" />
+  <B value="-0.0076417" />
+  <Tmin units="K"  value="94.94" />
+  <Tmax units="K"  value="237.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89537" />
+  <B value="0.23729" />
+  <C value="554" />
+  <D value="0.29629" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.07917" />
+  <B value="-5342.951" />
+  <C value="-5.152858" />
+  <D value="4.011012E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.65" />
+  <Tmax units="K"  value="554" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4103E+07" />
+  <B value="0.56334" />
+  <C value="-0.51577" />
+  <D value="0.31852" />
+  <E value="-0.072403" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5234" />
+  <B value="706.96" />
+  <C value="-1.4898" />
+  <D value="0.0041536" />
+  <E value="-0.000005155" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="237.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125060" />
+  <B value="169.88" />
+  <C value="6.1441" />
+  <D value="0.015707" />
+  <E value="-0.000014502" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68640" />
+  <B value="-664.02" />
+  <C value="12.252" />
+  <D value="0.000039427" />
+  <E value="-4.9098E-08" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1600.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19092" />
+  <B value="-216.75" />
+  <C value="-39.481" />
+  <D value="-32963" />
+  <E value="57710" />
+  <Tmin units="K"  value="277" />
+  <Tmax units="K"  value="1771" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.973" />
+  <B value="1174.5" />
+  <C value="0.57272" />
+  <D value="-0.0000017357" />
+  <E value="2" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3003E-07" />
+  <B value="0.64938" />
+  <C value="329.57" />
+  <D value="-240" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.095479" />
+  <B value="1984.5" />
+  <C value="-23.334" />
+  <D value="0.076497" />
+  <E value="-0.000098215" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0010085" />
+  <B value="1.2282" />
+  <C value="49915" />
+  <D value="0.89214" />
+  <Tmin units="K"  value="363.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074463" />
+  <B value="179.83" />
+  <C value="-4.4863" />
+  <D value="0.0047455" />
+  <E value="-0.000011145" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23959" />
+  <B value="264.31" />
+  <C value="-0.1392" />
+  <D value="0.000026399" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1600.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.733" />
+  <B value="3597.2" />
+  <C value="-11.461" />
+  <Tmin units="K"  value="337.34" />
+  <Tmax units="K"  value="487.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.5428" />
+  <B value="-0.036813" />
+  <C value="0.000040428" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.240561" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.255952E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="163.0499" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="79.69" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0333" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804731" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301271" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0844058" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.987475" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.712" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301271" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19094" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0844058" />
+<CAS name="CAS number"  value="126-98-7" />
+<Smiles name="SMILES"  value="C=C(C)C#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="404" />
+<CompoundID name="Name"  value="Dimethylacetylene" />
+<StructureFormula name="Structure"  value="CH3CCCH3" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="473.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="300.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.91" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6121.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.0904" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0788997" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.238542" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.519E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.32E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04344" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.457E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.849E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="283300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9234000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.843411" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4189E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.891" />
+  <B value="1.4333E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1717" />
+  <B value="0.25895" />
+  <C value="473.2" />
+  <D value="0.27289" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="460.97" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.56107" />
+  <B value="-4998.053" />
+  <C value="-6.834282" />
+  <D value="6.682052E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="235.35" />
+  <Tmax units="K"  value="473.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4761730" />
+  <B value="-11.5565" />
+  <C value="30.6629" />
+  <D value="-31.89366" />
+  <E value="12.67797" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="483.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22058" />
+  <B value="1434.2" />
+  <C value="-6.035" />
+  <D value="-0.0026008" />
+  <E value="0.00007651" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="140" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116500" />
+  <B value="35.116" />
+  <C value="5.8634" />
+  <D value="0.0049877" />
+  <E value="0.000013087" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="416.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62226" />
+  <B value="-826.04" />
+  <C value="12.513" />
+  <D value="-0.0002013" />
+  <E value="4.9424E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1305" />
+  <B value="-139.22" />
+  <C value="-10.692" />
+  <D value="-76.88" />
+  <E value="-253.62" />
+  <Tmin units="K"  value="244" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.045622" />
+  <B value="305.04" />
+  <C value="-1.6582" />
+  <D value="-4.749E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="371" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021802" />
+  <B value="0.39407" />
+  <C value="508.41" />
+  <D value="3758" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0074431" />
+  <B value="-154.13" />
+  <C value="-0.25098" />
+  <D value="-0.0046292" />
+  <E value="-7.3662E-08" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="428.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021497" />
+  <B value="0.91998" />
+  <C value="214.54" />
+  <D value="130500" />
+  <Tmin units="K"  value="276.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0028208" />
+  <B value="1162.8" />
+  <C value="-14.995" />
+  <D value="0.042251" />
+  <E value="-0.000058944" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="488.68" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24704" />
+  <B value="201.33" />
+  <C value="-0.063295" />
+  <D value="0.0000018433" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.304" />
+  <B value="2609.4" />
+  <C value="-33.287" />
+  <Tmin units="K"  value="286.57" />
+  <Tmax units="K"  value="424.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.9474" />
+  <B value="-0.021183" />
+  <C value="0.000020132" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="371" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.334271E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.3209" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0302" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.695843" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.238542" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0789036" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8635" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.48" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.109294" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17463.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0789036" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="67"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="54"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="67"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="66"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="503-17-3" />
+<Smiles name="SMILES"  value="CC#CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="403" />
+<CompoundID name="Name"  value="Ethylacetylene" />
+<StructureFormula name="Structure"  value="CH3CH2CCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="440" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.208" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="281.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="147.429" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="147.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.17966" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.092" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08322" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.616E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0435" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.652E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.0225E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="290390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6029270" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86034" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4647E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.004" />
+  <B value="-0.015369" />
+  <Tmin units="K"  value="58.97" />
+  <Tmax units="K"  value="147.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3447" />
+  <B value="0.27928" />
+  <C value="440" />
+  <D value="0.29778" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="76.044" />
+  <B value="-5031.59" />
+  <C value="-8.40406" />
+  <D value="9.681824E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.604722E+07" />
+  <B value="0.546439" />
+  <C value="-0.26185" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="463.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16604" />
+  <B value="1465.2" />
+  <C value="-11.028" />
+  <D value="0.042838" />
+  <E value="-0.000042808" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="140" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109820" />
+  <B value="1148.7" />
+  <C value="-9.607" />
+  <D value="0.084548" />
+  <E value="-0.00010384" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="298.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44709" />
+  <B value="-441.89" />
+  <C value="11.889" />
+  <D value="0.00039371" />
+  <E value="-1.2645E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11439" />
+  <B value="-115.33" />
+  <C value="-13.916" />
+  <D value="565.16" />
+  <E value="-1644.3" />
+  <Tmin units="K"  value="231.85" />
+  <Tmax units="K"  value="1896" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.3451" />
+  <B value="354.46" />
+  <C value="-0.92921" />
+  <D value="-0.0000006027" />
+  <E value="2" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000027867" />
+  <B value="0.37696" />
+  <C value="663.32" />
+  <D value="30.832" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032845" />
+  <B value="13.956" />
+  <C value="-1.5811" />
+  <D value="-0.00025138" />
+  <E value="-0.0000029965" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000036868" />
+  <B value="1.1429" />
+  <C value="-57.854" />
+  <D value="83816" />
+  <Tmin units="K"  value="281.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018233" />
+  <B value="58.318" />
+  <C value="-3.4452" />
+  <D value="0.0022742" />
+  <E value="-0.0000088254" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24902" />
+  <B value="172.94" />
+  <C value="0.12971" />
+  <D value="-0.00028785" />
+  <E value="1.2671E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.172" />
+  <B value="2381.3" />
+  <C value="-34.36" />
+  <Tmin units="K"  value="264.46" />
+  <Tmax units="K"  value="393.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.5057" />
+  <B value="-0.026061" />
+  <C value="0.000030844" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230791" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.516173E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="231.3399" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0299" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.659288" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.246864" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0809511" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8675" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.476" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.246864" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16554" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0809511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="53"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="66"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-00-6" />
+<Smiles name="SMILES"  value="CCC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="302" />
+<CompoundID name="Name"  value="1,2-butadiene" />
+<StructureFormula name="Structure"  value="CH2CCHCH3" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="452" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="284" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="136.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.4472" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.0904" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0838169" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.165877" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.724E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04104" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.623E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.986E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="293000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6962000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86993" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4617E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.23" />
+  <B value="-0.016101" />
+  <Tmin units="K"  value="54.78" />
+  <Tmax units="K"  value="136.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.86492" />
+  <B value="0.22148" />
+  <C value="452" />
+  <D value="0.28373" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.27585" />
+  <B value="-4559.624" />
+  <C value="-4.46417" />
+  <D value="-6.771964E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.715905E+07" />
+  <B value="0.824251" />
+  <C value="0.000387028" />
+  <D value="-2.253417" />
+  <E value="2.024613" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12633" />
+  <B value="1064.1" />
+  <C value="-2.6638" />
+  <D value="-0.022763" />
+  <E value="0.00013729" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="135" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109750" />
+  <B value="-2425.1" />
+  <C value="12.655" />
+  <D value="0.059068" />
+  <E value="-0.00014415" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39504.04" />
+  <B value="-354.1475" />
+  <C value="11.62099" />
+  <D value="0.00074321" />
+  <E value="-2.513775E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12404" />
+  <B value="-118.51" />
+  <C value="-9.2537" />
+  <D value="405.61" />
+  <E value="-950.52" />
+  <Tmin units="K"  value="212.5" />
+  <Tmax units="K"  value="1912.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.9134" />
+  <B value="468.65" />
+  <C value="-0.069814" />
+  <D value="2.8031E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="389.66" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4328E-07" />
+  <B value="0.52378" />
+  <C value="170.73" />
+  <D value="9690.7" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.29344" />
+  <B value="3.1314" />
+  <C value="-0.70701" />
+  <D value="-0.00052702" />
+  <E value="-3.6665E-07" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="424.31" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000085434" />
+  <B value="1.0359" />
+  <C value="127.53" />
+  <D value="78342" />
+  <Tmin units="K"  value="272.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071904" />
+  <B value="58.358" />
+  <C value="-3.6032" />
+  <D value="0.002556" />
+  <E value="-0.000013035" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9801.858" />
+  <B value="280.0477" />
+  <C value="-0.159682" />
+  <D value="0.0000372564" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.862" />
+  <B value="2320" />
+  <C value="-35.494" />
+  <Tmin units="K"  value="273.29" />
+  <Tmax units="K"  value="402.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.9521" />
+  <B value="-0.026624" />
+  <C value="0.000034949" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="389.66" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.21829" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.805919E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="215.5739" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.09464" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0295" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.6507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2492" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0816506" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.466" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.024" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.90162" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3394" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16360.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0816506" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-19-2" />
+<Smiles name="SMILES"  value="C=C=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="303" />
+<CompoundID name="Name"  value="1,3-butadiene" />
+<StructureFormula name="Structure"  value="CH2CHCHCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="425" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="268.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="69.1989" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.092" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08804" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.195" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.602E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04082" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.0924E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4972E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="278890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7984000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78024" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.409E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.877" />
+  <B value="-5.0524E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3314" />
+  <B value="0.28213" />
+  <C value="425" />
+  <D value="0.30137" />
+  <Tmin units="K"  value="164.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="64.81816" />
+  <B value="-4314.788" />
+  <C value="-6.766483" />
+  <D value="8.589719E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164" />
+  <Tmax units="K"  value="425.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4211E+07" />
+  <B value="0.45981" />
+  <C value="0.016247" />
+  <D value="-0.15407" />
+  <E value="0.054476" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="413.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6476.2" />
+  <B value="813.54" />
+  <C value="1.359" />
+  <D value="-0.057544" />
+  <E value="0.00024886" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="164.24" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88166" />
+  <B value="583.44" />
+  <C value="1.8231" />
+  <D value="0.030118" />
+  <E value="-0.000025695" />
+  <Tmin units="K"  value="164.24" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38238.49" />
+  <B value="-511.235" />
+  <C value="12.39338" />
+  <D value="-0.000121482" />
+  <E value="4.39211E-08" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12533" />
+  <B value="-119.09" />
+  <C value="-9.668" />
+  <D value="379.91" />
+  <E value="-922.02" />
+  <Tmin units="K"  value="169" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="12.653" />
+  <B value="-139.12" />
+  <C value="-3.6735" />
+  <D value="-0.0000014093" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4426E-07" />
+  <B value="0.6407" />
+  <C value="174.17" />
+  <D value="-2393.4" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096853" />
+  <B value="19.016" />
+  <C value="-1.4201" />
+  <D value="0.00020099" />
+  <E value="-0.0000029536" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="386.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-18588" />
+  <B value="0.94195" />
+  <C value="-7.31E+10" />
+  <D value="-9.6975E+11" />
+  <Tmin units="K"  value="268.74" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017149" />
+  <B value="-4.9201" />
+  <C value="-2.6201" />
+  <D value="-0.0017212" />
+  <E value="-0.0000040904" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="411.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29990" />
+  <B value="42.279" />
+  <C value="0.68619" />
+  <D value="-0.0010286" />
+  <E value="4.4241E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="2221.4" />
+  <C value="-30.643" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="381" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2847" />
+  <B value="-0.019089" />
+  <C value="0.000012468" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2202" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.429242E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.0071" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2713" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.03369" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0297" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.619744" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19336" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0830243" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6908" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.352" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009137" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.29204" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2028" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14195.77" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-99-0" />
+<Smiles name="SMILES"  value="C=CC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="204" />
+<CompoundID name="Name"  value="1-butene" />
+<StructureFormula name="Structure"  value="CH2CHCH2CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="419.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2408" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="87.8" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="87.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000000694" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09534" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.762E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04431" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-500000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.041E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="307400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3848000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5408E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.071" />
+  <B value="-0.022407" />
+  <Tmin units="K"  value="35.12" />
+  <Tmax units="K"  value="87.8" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98" />
+  <B value="0.25169" />
+  <C value="419.54" />
+  <D value="0.26645" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="41.66588" />
+  <B value="-3605.004" />
+  <C value="-2.983562" />
+  <D value="6.665773E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.5338E+07" />
+  <B value="0.68186" />
+  <C value="-0.28099" />
+  <D value="-0.25369" />
+  <E value="0.26017" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1585.7" />
+  <B value="-577.54" />
+  <C value="64.19" />
+  <D value="-1.0389" />
+  <E value="0.0053848" />
+  <Tmin units="K"  value="6" />
+  <Tmax units="K"  value="87.82" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100270" />
+  <B value="86.345" />
+  <C value="7.7333" />
+  <D value="0.00096546" />
+  <E value="0.000020281" />
+  <Tmin units="K"  value="81.29" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53529" />
+  <B value="-619.26" />
+  <C value="12.431" />
+  <D value="0.000096632" />
+  <E value="-3.9013E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15917" />
+  <B value="-163.92" />
+  <C value="-3.9976" />
+  <D value="-1573.8" />
+  <E value="2763.7" />
+  <Tmin units="K"  value="209.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.764" />
+  <B value="591.51" />
+  <C value="-0.0017307" />
+  <D value="2.5723E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="335.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0347E-07" />
+  <B value="0.54535" />
+  <C value="308.83" />
+  <D value="-232.73" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.071267" />
+  <B value="99.471" />
+  <C value="-4.2011" />
+  <D value="0.014325" />
+  <E value="-0.000041157" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092115" />
+  <B value="1.1181" />
+  <C value="717.19" />
+  <D value="13037" />
+  <Tmin units="K"  value="266.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011829" />
+  <B value="10.929" />
+  <C value="-2.9412" />
+  <D value="-0.00056522" />
+  <E value="-0.0000074409" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36492" />
+  <B value="66.383" />
+  <C value="0.51076" />
+  <D value="-0.00068154" />
+  <E value="2.6315E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.09" />
+  <B value="2368.5" />
+  <C value="-19.25" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.33753" />
+  <B value="-0.055494" />
+  <C value="0.000090567" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="335.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2377" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.394403E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="273.0275" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2736" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.24598" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0321" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.593789" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1921" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0896329" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.92" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.56" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001178" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98463" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2085" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13827.58" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0953" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-98-9" />
+<Smiles name="SMILES"  value="C=CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="205" />
+<CompoundID name="Name"  value="Cis-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="435.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2338" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.272" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09101" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.203" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.833E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04428" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7400000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.536E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="301200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7309400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79077" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5339E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.618" />
+  <B value="-0.014457" />
+  <Tmin units="K"  value="53.7" />
+  <Tmax units="K"  value="134.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1591" />
+  <B value="0.27085" />
+  <C value="435.5" />
+  <D value="0.28116" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.92441" />
+  <B value="-5022.628" />
+  <C value="-9.652369" />
+  <D value="0.0000133961" />
+  <E value="2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.58" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4358E+07" />
+  <B value="0.38004" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11156" />
+  <B value="837.19" />
+  <C value="4.9352" />
+  <D value="-0.095117" />
+  <E value="0.00037586" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="134.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79532" />
+  <B value="110.96" />
+  <C value="9.7654" />
+  <D value="-0.0036798" />
+  <E value="0.000019578" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53149" />
+  <B value="-719.47" />
+  <C value="12.619" />
+  <D value="-0.000047815" />
+  <E value="4.5198E-10" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13022" />
+  <B value="-102.71" />
+  <C value="-12.899" />
+  <D value="-102.28" />
+  <E value="-123.99" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1959.98" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.96838" />
+  <B value="892.0637" />
+  <C value="1.159883" />
+  <D value="-2.883463E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0697E-08" />
+  <B value="0.91942" />
+  <C value="-12.143" />
+  <D value="1343.2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032373" />
+  <B value="19.125" />
+  <C value="-1.716" />
+  <D value="0.00030408" />
+  <E value="-0.0000042934" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000075196" />
+  <B value="1.0578" />
+  <C value="-53.701" />
+  <D value="131760" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010924" />
+  <B value="29.613" />
+  <C value="-3.1507" />
+  <D value="0.00043968" />
+  <E value="-0.0000087176" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30672" />
+  <B value="159.5" />
+  <C value="0.18541" />
+  <D value="-0.00028485" />
+  <E value="1.0443E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="2387.1" />
+  <C value="-26.243" />
+  <Tmin units="K"  value="263.27" />
+  <Tmax units="K"  value="387.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.8527" />
+  <B value="-0.034875" />
+  <C value="0.000051621" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.556787E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.7732" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2705" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.05879" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0315" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.625953" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20385" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0874127" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9189" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.563" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005287" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.28413" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2575" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13827.58" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0912" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-18-1" />
+<Smiles name="SMILES"  value="C/C=C\C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="206" />
+<CompoundID name="Name"  value="Trans-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="428.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2377" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="274.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.62" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.62" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="74.5" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09365" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.218" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.734E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04428" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.32E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9757500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80878" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.53E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.597" />
+  <B value="-0.011008" />
+  <Tmin units="K"  value="67.05" />
+  <Tmax units="K"  value="167.62" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1523" />
+  <B value="0.27235" />
+  <C value="428.6" />
+  <D value="0.28543" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.602" />
+  <B value="-4026.7" />
+  <C value="-5.5178" />
+  <D value="0.0000079176" />
+  <E value="2" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.63" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3476E+07" />
+  <B value="0.31355" />
+  <C value="0.41478" />
+  <D value="-0.75555" />
+  <E value="0.40695" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11577" />
+  <B value="924.59" />
+  <C value="-0.075824" />
+  <D value="-0.037583" />
+  <E value="0.00018647" />
+  <Tmin units="K"  value="14.56" />
+  <Tmax units="K"  value="167.62" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="98730" />
+  <B value="549.96" />
+  <C value="0.83133" />
+  <D value="0.038607" />
+  <E value="-0.000044392" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="280" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60006" />
+  <B value="-649.72" />
+  <C value="12.368" />
+  <D value="0.00014661" />
+  <E value="-5.1566E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13647" />
+  <B value="-137.68" />
+  <C value="-9.943" />
+  <D value="-263.89" />
+  <E value="304.81" />
+  <Tmin units="K"  value="214.3" />
+  <Tmax units="K"  value="1928.75" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.05639" />
+  <B value="833.2986" />
+  <C value="0.849646" />
+  <D value="-2.292227E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010493" />
+  <B value="0.48674" />
+  <C value="358.01" />
+  <D value="137.53" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060004" />
+  <B value="368.81" />
+  <C value="-7.3737" />
+  <D value="0.025078" />
+  <E value="-0.000049526" />
+  <Tmin units="K"  value="167.6" />
+  <Tmax units="K"  value="392.74" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078563" />
+  <B value="1.0565" />
+  <C value="14.753" />
+  <D value="105810" />
+  <Tmin units="K"  value="274.03" />
+  <Tmax units="K"  value="1257" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071116" />
+  <B value="84.381" />
+  <C value="-4.1149" />
+  <D value="0.0047521" />
+  <E value="-0.000016755" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="46428" />
+  <B value="-40.658" />
+  <C value="0.75936" />
+  <D value="-0.00091251" />
+  <E value="3.3965E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.171" />
+  <B value="2448.5" />
+  <C value="-20.174" />
+  <Tmin units="K"  value="258.29" />
+  <Tmax units="K"  value="383.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.7304" />
+  <B value="-0.027775" />
+  <C value="0.000037636" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23668" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.417894E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="271.7928" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2721" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18256" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.608684" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21525" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0893483" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9189" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.563" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.016832" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.8876" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2138" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14207.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0893483" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-64-6" />
+<Smiles name="SMILES"  value="C/C=C/C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="207" />
+<CompoundID name="Name"  value="Isobutene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="417.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2388" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.644929" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09524" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.875E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04429" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.71E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.808E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="293090" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5931200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.60897" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5242E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.138" />
+  <B value="-0.014341" />
+  <Tmin units="K"  value="53.12" />
+  <Tmax units="K"  value="132.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.01" />
+  <B value="0.25611" />
+  <C value="417.9" />
+  <D value="0.2642" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.13879" />
+  <B value="-3682.162" />
+  <C value="-3.952514" />
+  <D value="4.044185E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.916E+07" />
+  <B value="1.1638" />
+  <C value="-1.4033" />
+  <D value="0.81203" />
+  <E value="-0.13521" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34336" />
+  <B value="57.654" />
+  <C value="2.3469" />
+  <D value="-0.0024921" />
+  <E value="0.0000076414" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="130" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95317" />
+  <B value="-68.58" />
+  <C value="9.3268" />
+  <D value="0.0023434" />
+  <E value="0.0000076824" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49784" />
+  <B value="-472.84" />
+  <C value="12.012" />
+  <D value="0.00052863" />
+  <E value="-1.7772E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14292" />
+  <B value="-112.61" />
+  <C value="-10.11" />
+  <D value="-321.37" />
+  <E value="359.29" />
+  <Tmin units="K"  value="194" />
+  <Tmax units="K"  value="1880.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.717" />
+  <B value="644.93" />
+  <C value="0.3696" />
+  <D value="-0.0000023983" />
+  <E value="2" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000028839" />
+  <B value="0.33897" />
+  <C value="365.04" />
+  <D value="17752" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061493" />
+  <B value="33.335" />
+  <C value="-2.4686" />
+  <D value="0.0041425" />
+  <E value="-0.000023609" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="395.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-418.21" />
+  <B value="0.91306" />
+  <C value="-1.5105E+09" />
+  <D value="3.1789E+10" />
+  <Tmin units="K"  value="266.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0085717" />
+  <B value="38.109" />
+  <C value="-3.4301" />
+  <D value="0.0015866" />
+  <E value="-0.000012058" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26864" />
+  <B value="174.18" />
+  <C value="0.19231" />
+  <D value="-0.00032834" />
+  <E value="0.0000001302" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.012" />
+  <B value="2312" />
+  <C value="-22.509" />
+  <Tmin units="K"  value="250.95" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.049" />
+  <B value="-0.038545" />
+  <C value="0.000054221" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.449925E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.5672" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2727" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.044" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.592793" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19584" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0953727" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9195" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.684" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.684" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.20386" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1951" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13659.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0953727" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-11-7" />
+<Smiles name="SMILES"  value="C=C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1006" />
+<CompoundID name="Name"  value="2-methylpropanal" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.263" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="208.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="208.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="34.8247" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.1057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0920264" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.36218" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.176E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.158E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.214E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="331200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0845" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2913E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.457" />
+  <B value="-0.0083248" />
+  <Tmin units="K"  value="83.26" />
+  <Tmax units="K"  value="208.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97266" />
+  <B value="0.25698" />
+  <C value="507" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.1731" />
+  <B value="-7116.016" />
+  <C value="-12.16592" />
+  <D value="0.0000111612" />
+  <E value="2" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.95108E+07" />
+  <B value="0.263532" />
+  <C value="1.209662" />
+  <D value="-2.271572" />
+  <E value="1.223299" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="117460" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143330" />
+  <B value="110.87" />
+  <C value="5.2999" />
+  <D value="0.018869" />
+  <E value="-0.000016131" />
+  <Tmin units="K"  value="214.6" />
+  <Tmax units="K"  value="380.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68500" />
+  <B value="-741.45" />
+  <C value="12.977" />
+  <D value="-0.00061649" />
+  <E value="3.0243E-07" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1200.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17413" />
+  <B value="-177.39" />
+  <C value="-23.578" />
+  <D value="-1169.2" />
+  <E value="-870.73" />
+  <Tmin units="K"  value="253.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.535" />
+  <B value="970.52" />
+  <C value="-0.049339" />
+  <D value="1.1673E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9586E-07" />
+  <B value="0.71384" />
+  <C value="159.71" />
+  <D value="-212.67" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10024" />
+  <B value="-223.61" />
+  <C value="-0.25771" />
+  <D value="-0.00474" />
+  <E value="-0.000011884" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2151.4" />
+  <B value="-0.21039" />
+  <C value="974960" />
+  <D value="-5.0943E+09" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080335" />
+  <B value="138.78" />
+  <C value="-4.3351" />
+  <D value="0.0046959" />
+  <E value="-0.000012308" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1651.2" />
+  <B value="409.22" />
+  <C value="-0.26544" />
+  <D value="0.000076956" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1200.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.001" />
+  <B value="3260.1" />
+  <C value="-26.391" />
+  <Tmin units="K"  value="309.26" />
+  <Tmax units="K"  value="444.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.27451" />
+  <B value="-0.041473" />
+  <C value="0.000050862" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.133037E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.2365" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.0423" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0348" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79414" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.37009" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0920137" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.872" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.9594" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.37009" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18234.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0920137" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-84-2" />
+<Smiles name="SMILES"  value="CC(C)C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1052" />
+<CompoundID name="Name"  value="Methyl ethyl ketone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.267" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="186.48" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="186.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.3904" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.107" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09013" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.322" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.135E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.21E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.39E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.47E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8385000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0746" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.268E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.07" />
+  <B value="-0.0096025" />
+  <Tmin units="K"  value="74.59" />
+  <Tmax units="K"  value="186.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.16518" />
+  <B value="0.10716" />
+  <C value="536.8" />
+  <D value="0.15066" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.00012" />
+  <B value="-6498.964" />
+  <C value="-9.389584" />
+  <D value="8.32043E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7221E+07" />
+  <B value="0.30759" />
+  <C value="0.48591" />
+  <D value="-0.8645" />
+  <E value="0.45018" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17129" />
+  <B value="1720.2" />
+  <C value="-12.568" />
+  <D value="0.048242" />
+  <E value="-0.000060858" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="186.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137210" />
+  <B value="245.98" />
+  <C value="6.3249" />
+  <D value="0.009404" />
+  <E value="3.3143E-07" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69404" />
+  <B value="-545.04" />
+  <C value="12.139" />
+  <D value="0.00045578" />
+  <E value="-1.6351E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.072002" />
+  <B value="-61.582" />
+  <C value="-63.847" />
+  <D value="32101" />
+  <E value="-95322" />
+  <Tmin units="K"  value="277.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.60519" />
+  <B value="503.02" />
+  <C value="-1.5659" />
+  <D value="5.5782E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8817E-08" />
+  <B value="0.96765" />
+  <C value="-28.58" />
+  <D value="7703" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.17871" />
+  <B value="4.3086" />
+  <C value="-1.0343" />
+  <D value="0.00010801" />
+  <E value="-0.0000015411" />
+  <Tmin units="K"  value="184.45" />
+  <Tmax units="K"  value="422.04" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-4970700" />
+  <B value="-0.23106" />
+  <C value="2.2577E+09" />
+  <D value="-1.0834E+13" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022005" />
+  <B value="17.777" />
+  <C value="-2.7497" />
+  <D value="-0.00035582" />
+  <E value="-0.0000031774" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="52789" />
+  <B value="91.975" />
+  <C value="0.40334" />
+  <D value="-0.00053911" />
+  <E value="2.0528E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-9.711039" />
+  <B value="-13984.86" />
+  <C value="-7.272391" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.449" />
+  <B value="3070.5" />
+  <C value="-43.309" />
+  <Tmin units="K"  value="325.82" />
+  <Tmax units="K"  value="480.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.4713" />
+  <B value="-0.024147" />
+  <C value="0.000020964" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.281568E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.3396" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77001" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.036" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.80904" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3241" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0901936" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.25" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.095" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3241" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18878.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0901936" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-93-3" />
+<Smiles name="SMILES"  value="CC(=O)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1479" />
+<CompoundID name="Name"  value="Tetrahydrofuran" />
+<StructureFormula name="Structure"  value="-CH2CH2CH2CH2O-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5190000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.224" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="339.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.195542" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.107" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08171" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.225" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.694E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04348" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.43E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8418E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.969E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="297290" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.325E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.756" />
+  <B value="-0.011931" />
+  <Tmin units="K"  value="65.86" />
+  <Tmax units="K"  value="164.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.054" />
+  <B value="0.25754" />
+  <C value="540.2" />
+  <D value="0.26776" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.74347" />
+  <B value="-6236.553" />
+  <C value="-9.221137" />
+  <D value="0.0000078089" />
+  <E value="2" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.770629E+07" />
+  <B value="0.8303" />
+  <C value="-0.617577" />
+  <D value="-0.253996" />
+  <E value="0.501899" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21080" />
+  <B value="1625.4" />
+  <C value="-13.019" />
+  <D value="0.054426" />
+  <E value="-0.00007435" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="164.76" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83351" />
+  <B value="774.14" />
+  <C value="0.38273" />
+  <D value="0.036255" />
+  <E value="-0.00003559" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="339.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41616" />
+  <B value="-744.85" />
+  <C value="13.048" />
+  <D value="-0.00029616" />
+  <E value="7.4486E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13601" />
+  <B value="-158.27" />
+  <C value="-17.134" />
+  <D value="-685.86" />
+  <E value="573.36" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="1890.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.047" />
+  <B value="896.61" />
+  <C value="-0.11864" />
+  <D value="2.5625E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3286E-07" />
+  <B value="0.67758" />
+  <C value="342.35" />
+  <D value="-15667" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22085" />
+  <B value="9.5971" />
+  <C value="-0.99496" />
+  <D value="-0.00017415" />
+  <E value="-6.4958E-07" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="433.56" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000010439" />
+  <B value="1.4482" />
+  <C value="729.36" />
+  <D value="-9829.3" />
+  <Tmin units="K"  value="273.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036886" />
+  <B value="4.45" />
+  <C value="-2.3412" />
+  <D value="-0.00098178" />
+  <E value="-0.0000015349" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42994" />
+  <B value="-161.83" />
+  <C value="1.3686" />
+  <D value="-0.0016978" />
+  <E value="6.6516E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.376" />
+  <B value="-3760" />
+  <C value="-22.56" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.254" />
+  <B value="2946.8" />
+  <C value="-36.192" />
+  <Tmin units="K"  value="328.14" />
+  <Tmax units="K"  value="483.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.1285" />
+  <B value="-0.041831" />
+  <C value="0.000052" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23149" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.732815E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.4877" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66911" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0332" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.889" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.22269" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0819417" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.94" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4245" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.225" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19042.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0819417" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="28"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="28"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="27"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-99-9" />
+<Smiles name="SMILES"  value="C1COCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1421" />
+<CompoundID name="Name"  value="1,4-dioxane" />
+<StructureFormula name="Structure"  value="-OCH2CH2OCH2CH2-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5170000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.238" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="284.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="284.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2532.46" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08529" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.279262" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.017E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04662" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.158E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.816E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="300120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.284E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85142" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.1863E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.349" />
+  <B value="1.6331E-16" />
+  <Tmin units="K"  value="284.15" />
+  <Tmax units="K"  value="293.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0039" />
+  <B value="0.25926" />
+  <C value="587" />
+  <D value="0.28278" />
+  <Tmin units="K"  value="273.83" />
+  <Tmax units="K"  value="587" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.11504" />
+  <B value="-5577.21" />
+  <C value="-4.046854" />
+  <D value="2.080567E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="587" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1367E+08" />
+  <B value="9.1812" />
+  <C value="-22.992" />
+  <D value="23.854" />
+  <E value="-9.34" />
+  <Tmin units="K"  value="274.17" />
+  <Tmax units="K"  value="587.56" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="59198" />
+  <B value="-738.71" />
+  <C value="10.567" />
+  <D value="-0.045677" />
+  <E value="0.000073474" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="272.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151550" />
+  <B value="-65314" />
+  <C value="519.35" />
+  <D value="-1.3402" />
+  <E value="0.0011989" />
+  <Tmin units="K"  value="284.93" />
+  <Tmax units="K"  value="374.47" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46250" />
+  <B value="-613.41" />
+  <C value="12.822" />
+  <D value="0.000004782" />
+  <E value="-2.2238E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15508" />
+  <B value="-121.34" />
+  <C value="-57.373" />
+  <D value="-20817" />
+  <E value="36332" />
+  <Tmin units="K"  value="293.5" />
+  <Tmax units="K"  value="1877.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-79.28" />
+  <B value="4198.4" />
+  <C value="10.393" />
+  <D value="-0.0000085568" />
+  <E value="2" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7334E-07" />
+  <B value="0.7393" />
+  <C value="129.93" />
+  <D value="-0.0004206" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.089834" />
+  <B value="46.421" />
+  <C value="-1.1898" />
+  <D value="-0.0037338" />
+  <E value="-0.0000061358" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.3873E-07" />
+  <B value="1.8505" />
+  <C value="-94.575" />
+  <D value="7804.2" />
+  <Tmin units="K"  value="276.15" />
+  <Tmax units="K"  value="768.01" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01539" />
+  <B value="-237.84" />
+  <C value="-0.68129" />
+  <D value="-0.0050984" />
+  <E value="-3.5247E-07" />
+  <Tmin units="K"  value="274.86" />
+  <Tmax units="K"  value="587" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="31013" />
+  <B value="15.39" />
+  <C value="0.97953" />
+  <D value="-0.0012972" />
+  <E value="5.1358E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.572938" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.067" />
+  <B value="2959.2" />
+  <C value="-64.038" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="527.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.8781" />
+  <B value="-0.054192" />
+  <C value="0.000062327" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25238" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.96013E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.96" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.48017" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0363" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03891" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2779" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0856635" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.07" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.28" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.216" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280373" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20163.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0856635" />
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="26"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="25"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-91-1" />
+<Smiles name="SMILES"  value="C1OCCOC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1256" />
+<CompoundID name="Name"  value="N-butyric acid" />
+<StructureFormula name="Structure"  value="CH3CH2CH2COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="624" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.227" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="436.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.3" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09246" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.72" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.61E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05365" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.758E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.6E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.159E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.34915" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.008E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.238" />
+  <B value="-0.0069956" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="267.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.702" />
+  <B value="0.22902" />
+  <C value="628.16" />
+  <D value="0.24275" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="628.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="54.31047" />
+  <B value="-7692.649" />
+  <C value="-4.148708" />
+  <D value="2.624319E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="625.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1387E+07" />
+  <B value="1.1517" />
+  <C value="-2.7656" />
+  <D value="2.6617" />
+  <E value="-0.66983" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="615.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1354100" />
+  <B value="26070" />
+  <C value="-174.59" />
+  <D value="0.51718" />
+  <E value="-0.00056018" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135560" />
+  <B value="664.7" />
+  <C value="1.9592" />
+  <D value="0.027685" />
+  <E value="-0.000020111" />
+  <Tmin units="K"  value="267.89" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75565" />
+  <B value="-613.25" />
+  <C value="12.671" />
+  <D value="-0.000058773" />
+  <E value="-2.4845E-08" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="14.241" />
+  <B value="534.99" />
+  <C value="-4.0411" />
+  <D value="0.0000053437" />
+  <E value="2" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2745E-08" />
+  <B value="1.0055" />
+  <C value="13.097" />
+  <D value="182.58" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043955" />
+  <B value="57.698" />
+  <C value="-1.8847" />
+  <D value="0.00050649" />
+  <E value="-0.0000013441" />
+  <Tmin units="K"  value="259.29" />
+  <Tmax units="K"  value="573.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010747" />
+  <B value="1.3444" />
+  <C value="19634" />
+  <D value="-7296600" />
+  <Tmin units="K"  value="436.42" />
+  <Tmax units="K"  value="706.95" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0076127" />
+  <B value="373.93" />
+  <C value="-6.0915" />
+  <D value="0.0084349" />
+  <E value="-0.000011979" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="615.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9096.2" />
+  <B value="429.44" />
+  <C value="-0.26202" />
+  <D value="0.000057916" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.149" />
+  <B value="3703.9" />
+  <C value="-87.868" />
+  <Tmin units="K"  value="374.82" />
+  <Tmax units="K"  value="560.79" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.4201" />
+  <B value="-0.037098" />
+  <C value="0.000035218" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.285694" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.336263E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="195.7901" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.95962" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0924567" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5512" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.152" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20262.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0924567" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-92-6" />
+<Smiles name="SMILES"  value="CCCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1313" />
+<CompoundID name="Name"  value="Ethyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOC2H5" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="523.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3830000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.286" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="350.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.43179" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09855" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.361" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05277" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.445E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.28E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.048E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0408" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.061E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.57" />
+  <B value="-0.0085904" />
+  <Tmin units="K"  value="75.84" />
+  <Tmax units="K"  value="189.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78926" />
+  <B value="0.24295" />
+  <C value="523.26" />
+  <D value="0.25762" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="523.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.16862" />
+  <B value="-7073.291" />
+  <C value="-10.65983" />
+  <D value="8.16528E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="523.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9527E+07" />
+  <B value="0.37029" />
+  <C value="0.072685" />
+  <D value="-0.077493" />
+  <E value="0.017381" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="505.74" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45470" />
+  <B value="2386.6" />
+  <C value="-15.442" />
+  <D value="0.037388" />
+  <E value="0.000010613" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="189.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129430" />
+  <B value="961.92" />
+  <C value="-0.12694" />
+  <D value="0.034745" />
+  <E value="-0.000031346" />
+  <Tmin units="K"  value="189.3" />
+  <Tmax units="K"  value="391.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97183" />
+  <B value="-1121.4" />
+  <C value="13.827" />
+  <D value="-0.0012343" />
+  <E value="3.6158E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16068" />
+  <B value="-181.45" />
+  <C value="-31.475" />
+  <D value="-5830.1" />
+  <E value="6599.7" />
+  <Tmin units="K"  value="261.6" />
+  <Tmax units="K"  value="1831.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="16.428" />
+  <B value="-219.29" />
+  <C value="-4.124" />
+  <D value="6.0568E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000034514" />
+  <B value="0.35236" />
+  <C value="732.29" />
+  <D value="-3982.4" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.040771" />
+  <B value="-127.25" />
+  <C value="-0.26995" />
+  <D value="-0.0055753" />
+  <E value="9.9363E-07" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="350.21" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.3264E-07" />
+  <B value="1.902" />
+  <C value="102.58" />
+  <D value="-17015" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="990.21" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025331" />
+  <B value="12.715" />
+  <C value="-2.6443" />
+  <D value="-0.0005937" />
+  <E value="-0.0000027669" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="505.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="85040" />
+  <B value="-124.28" />
+  <C value="1.0836" />
+  <D value="-0.0013084" />
+  <E value="4.9879E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.708549" />
+  <B value="-3000" />
+  <C value="-18" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.18" />
+  <B value="2832.5" />
+  <C value="-56.935" />
+  <Tmin units="K"  value="314.55" />
+  <Tmax units="K"  value="470.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.3439" />
+  <B value="-0.018487" />
+  <C value="0.000012476" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.24E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="499" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.17686" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.904856" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35949" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0985939" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.48" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.49506" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.362" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18345.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0985939" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="23"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="26"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="23"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="22"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-78-6" />
+<Smiles name="SMILES"  value="CC(=O)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1322" />
+<CompoundID name="Name"  value="Methyl propionate" />
+<StructureFormula name="Structure"  value="CH3CH2COOCH3" />
+<Family name="Family"  value="57" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.282" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.634091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09693" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.349" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.49E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.681E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05277" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.275E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.11E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.01E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.019" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.078E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.807" />
+  <B value="-0.008787" />
+  <Tmin units="K"  value="74.26" />
+  <Tmax units="K"  value="185.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72945" />
+  <B value="0.23284" />
+  <C value="530.6" />
+  <D value="0.24422" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="91.97365" />
+  <B value="-7071.987" />
+  <C value="-10.4626" />
+  <D value="7.767427E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.6303E+07" />
+  <B value="2.9196" />
+  <C value="-6.5593" />
+  <D value="6.8235" />
+  <E value="-2.6926" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="130880" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140380" />
+  <B value="1173.7" />
+  <C value="0.81056" />
+  <D value="0.020863" />
+  <E value="-0.000005642" />
+  <Tmin units="K"  value="253.71" />
+  <Tmax units="K"  value="423.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="11365" />
+  <B value="-258.45" />
+  <C value="12.315" />
+  <D value="0.00033508" />
+  <E value="-7.4281E-08" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15762" />
+  <B value="-192.95" />
+  <C value="-33.685" />
+  <D value="-4171.3" />
+  <E value="3538.6" />
+  <Tmin units="K"  value="265.3" />
+  <Tmax units="K"  value="1591.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2868" />
+  <B value="807.93" />
+  <C value="-0.36444" />
+  <D value="-0.0000010038" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="352.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2912E-07" />
+  <B value="0.63237" />
+  <C value="126.55" />
+  <D value="15669" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.034599" />
+  <B value="27.577" />
+  <C value="-2.1207" />
+  <D value="0.00098891" />
+  <E value="-0.0000051703" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="475" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-197.62" />
+  <B value="-0.13413" />
+  <C value="101740" />
+  <D value="-8.2156E+08" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01525" />
+  <B value="32.131" />
+  <C value="-2.9556" />
+  <D value="0.00026339" />
+  <E value="-0.0000051671" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="512.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-416.05" />
+  <B value="484.46" />
+  <C value="-0.3614" />
+  <D value="0.00011182" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.091" />
+  <B value="-3100" />
+  <C value="-18.6" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.223" />
+  <B value="2894.8" />
+  <C value="-54.265" />
+  <Tmin units="K"  value="321.91" />
+  <Tmax units="K"  value="476.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.6879" />
+  <B value="-0.02954" />
+  <C value="0.000030971" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="352.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28047" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.277307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.6518" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.14006" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0383" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.919835" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0969396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4786" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.3999" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18626.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0969396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="554-12-1" />
+<Smiles name="SMILES"  value="CCC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1303" />
+<CompoundID name="Name"  value="N-propyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH2CH2CH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="538" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.285" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.211011" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09794" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.32" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.364E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05297" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.076E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.936E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="367800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.32E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91319" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.041E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.696" />
+  <B value="-0.0089769" />
+  <Tmin units="K"  value="72.1" />
+  <Tmax units="K"  value="180.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.915" />
+  <B value="0.26134" />
+  <C value="538" />
+  <D value="0.28" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.35267" />
+  <B value="-6244.56" />
+  <C value="-7.280094" />
+  <D value="4.220422E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.414398E+07" />
+  <B value="0.597341" />
+  <C value="-0.589234" />
+  <D value="1.004533" />
+  <E value="-0.602007" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="130880" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76453" />
+  <B value="-41.853" />
+  <C value="10.797" />
+  <D value="0.0021776" />
+  <E value="0.0000016375" />
+  <Tmin units="K"  value="188.3" />
+  <Tmax units="K"  value="433.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48655" />
+  <B value="-455.54" />
+  <C value="12.53" />
+  <D value="0.000075917" />
+  <E value="-4.246E-09" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15811" />
+  <B value="-174.27" />
+  <C value="-31.648" />
+  <D value="-4516.6" />
+  <E value="3566.6" />
+  <Tmin units="K"  value="269" />
+  <Tmax units="K"  value="1883" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-51.649" />
+  <B value="2317.7" />
+  <C value="6.5556" />
+  <D value="-0.000012396" />
+  <E value="2" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="353.97" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.0899E-07" />
+  <B value="0.58607" />
+  <C value="368.57" />
+  <D value="-171.06" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.017242" />
+  <B value="-22.474" />
+  <C value="-1.4478" />
+  <D value="-0.0011278" />
+  <E value="-0.0000020716" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="661.08" />
+  <B value="0.99232" />
+  <C value="5.8449E+09" />
+  <D value="-9.0597E+10" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017831" />
+  <B value="28.209" />
+  <C value="-2.943" />
+  <D value="0.00018306" />
+  <E value="-0.0000042883" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1865.2" />
+  <B value="457.73" />
+  <C value="-0.29209" />
+  <D value="0.000073654" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.820192" />
+  <B value="-3950" />
+  <C value="-23.7" />
+  <Tmin units="K"  value="273.0389" />
+  <Tmax units="K"  value="443.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.052" />
+  <B value="2837.7" />
+  <C value="-56.289" />
+  <Tmin units="K"  value="322.95" />
+  <Tmax units="K"  value="483.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.9885" />
+  <B value="-0.052442" />
+  <C value="0.000067436" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="353.97" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28231" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.21203E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="271.378" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.32658" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.910145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.314" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0979424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4919" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.58645" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.314" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18339.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0979424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-74-7" />
+<Smiles name="SMILES"  value="CCCOC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1845" />
+<CompoundID name="Name"  value="Sulfolane" />
+<StructureFormula name="Structure"  value="-(CH2)2SO2(CH2)2-" />
+<Family name="Family"  value="70" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="855" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3365" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.345074" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="560.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="300.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="300.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.704459" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.17" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0952677" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.5234" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.309E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.56E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06122" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.727E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.431E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="347500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1373000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.397E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.313" />
+  <B value="-0.0048955" />
+  <Tmin units="K"  value="120.22" />
+  <Tmax units="K"  value="300.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89997" />
+  <B value="0.26972" />
+  <C value="853" />
+  <D value="0.30746" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="853" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.0995" />
+  <B value="-12237.47" />
+  <C value="-12.64533" />
+  <D value="4.157394E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="853" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.605659E+08" />
+  <B value="3.828131" />
+  <C value="-7.67047" />
+  <D value="6.739132" />
+  <E value="-2.353929" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="853" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-785.07" />
+  <B value="-58445" />
+  <C value="597.38" />
+  <D value="-2.0114" />
+  <E value="0.0022509" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122690" />
+  <B value="-336.31" />
+  <C value="11.614" />
+  <D value="0.0017011" />
+  <E value="-5.0866E-07" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="711.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92921" />
+  <B value="-999.97" />
+  <C value="13.757" />
+  <D value="-0.00093192" />
+  <E value="0.0000002258" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21162" />
+  <B value="-345.47" />
+  <C value="-201.18" />
+  <D value="-901260" />
+  <E value="2067300" />
+  <Tmin units="K"  value="426.5" />
+  <Tmax units="K"  value="1575.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-56.251" />
+  <B value="4046.1" />
+  <C value="6.7894" />
+  <D value="-0.0000052803" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="682.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9074E-08" />
+  <B value="0.97453" />
+  <C value="81.209" />
+  <D value="-9361.1" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.079581" />
+  <B value="-84.501" />
+  <C value="-1.1134" />
+  <D value="-0.0025206" />
+  <E value="2.9748E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000077821" />
+  <B value="1.0313" />
+  <C value="528.38" />
+  <D value="54551" />
+  <Tmin units="K"  value="558.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014132" />
+  <B value="101.47" />
+  <C value="-3.0694" />
+  <D value="0.00080277" />
+  <E value="-0.0000027696" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="853" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16512" />
+  <B value="535.08" />
+  <C value="-0.32273" />
+  <D value="0.000068445" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4.6" />
+  <B value="-10000" />
+  <C value="-45" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="853" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.827" />
+  <B value="5019" />
+  <C value="-73.207" />
+  <Tmin units="K"  value="521.53" />
+  <Tmax units="K"  value="765.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0048" />
+  <B value="-0.032316" />
+  <C value="0.000023123" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="682.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.327425" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.990302E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="212.828" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257009" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0454" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26697" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.377998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0952677" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0357" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.2" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.2" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.377998" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26335.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0952677" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="118"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="56"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="59"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="118"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="2" />
+  <group id="110"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="126-33-0" />
+<Smiles name="SMILES"  value="S1(=O)(=O)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2856" />
+<CompoundID name="Name"  value="N,n-dimethylacetamide" />
+<StructureFormula name="Structure"  value="(CH3)2NCOCH3" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.321" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.236" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="439.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="253.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="253.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.64072" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="87.1204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0930285" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.363509" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.368E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.27088E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05704" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.25E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.85E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="351000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.04182E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.38E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.194" />
+  <B value="-0.0062154" />
+  <Tmin units="K"  value="101.26" />
+  <Tmax units="K"  value="253.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72553" />
+  <B value="0.2328" />
+  <C value="658" />
+  <D value="0.27034" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="67.333" />
+  <B value="-7592.9" />
+  <C value="-6.3978" />
+  <D value="0.0000021543" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="658" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8939E+07" />
+  <B value="0.34564" />
+  <C value="-0.28415" />
+  <D value="0.52832" />
+  <E value="-0.2171" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5764.2" />
+  <B value="751.46" />
+  <C value="-1.5181" />
+  <D value="0.004037" />
+  <E value="-0.0000047604" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="253.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="175450" />
+  <B value="252.77" />
+  <C value="11.249" />
+  <D value="-0.052983" />
+  <E value="0.00011812" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="409" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41899" />
+  <B value="-423.52" />
+  <C value="12.444" />
+  <D value="0.00039958" />
+  <E value="-1.2339E-07" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22953" />
+  <B value="-303.05" />
+  <C value="-68.186" />
+  <D value="-13212" />
+  <E value="-9988.7" />
+  <Tmin units="K"  value="329" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="16.727" />
+  <B value="-219.71" />
+  <C value="-4.0135" />
+  <D value="-0.0000013942" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4592E-07" />
+  <B value="0.64442" />
+  <C value="412.29" />
+  <D value="-8784" />
+  <Tmin units="K"  value="439.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06447" />
+  <B value="-206.75" />
+  <C value="-0.7204" />
+  <D value="0.00031649" />
+  <E value="-0.000010441" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011762" />
+  <B value="0.72055" />
+  <C value="943.06" />
+  <D value="275760" />
+  <Tmin units="K"  value="439.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0049495" />
+  <B value="166.75" />
+  <C value="-4.146" />
+  <D value="0.0038773" />
+  <E value="-0.000009444" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9221.9" />
+  <B value="475.24" />
+  <C value="-0.26167" />
+  <D value="0.000056823" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.469" />
+  <B value="3699.8" />
+  <C value="-66.946" />
+  <Tmin units="K"  value="402.31" />
+  <Tmax units="K"  value="572.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.5469" />
+  <B value="-0.018051" />
+  <C value="0.000010457" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304288" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.226349E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="237.4774" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258662" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94469" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.363509" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0930285" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.760053" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.276" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.363509" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22352.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0930285" />
+<CAS name="CAS number"  value="127-19-5" />
+<Smiles name="SMILES"  value="CC(=O)N(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="5" />
+<CompoundID name="Name"  value="N-butane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="425.12" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3796000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.255" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="272.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.86" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.86" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.67358" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10048" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.199" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.886E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0478" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.94E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2579E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.67E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4661000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84209" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65732E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.194" />
+  <B value="-0.0068444" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="134.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0023" />
+  <B value="0.26457" />
+  <C value="425.17" />
+  <D value="0.27138" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.5773" />
+  <B value="-4444.916" />
+  <C value="-7.395837" />
+  <D value="9.857432E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.6258E+07" />
+  <B value="0.83741" />
+  <C value="-0.83676" />
+  <D value="0.41526" />
+  <E value="-0.007606" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24310" />
+  <B value="1912.6" />
+  <C value="-19.664" />
+  <D value="0.12331" />
+  <E value="-0.00026167" />
+  <Tmin units="K"  value="22.35" />
+  <Tmax units="K"  value="130.16" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115150" />
+  <B value="-3564.7" />
+  <C value="41.067" />
+  <D value="-0.098803" />
+  <E value="0.0001183" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44749.95" />
+  <B value="-338.1412" />
+  <C value="11.81452" />
+  <D value="0.00097744" />
+  <E value="-3.359129E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14916" />
+  <B value="-144.06" />
+  <C value="-9.8812" />
+  <D value="-360.23" />
+  <E value="516.2" />
+  <Tmin units="K"  value="212.58" />
+  <Tmax units="K"  value="1913.22" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-46.56549" />
+  <B value="1439.945" />
+  <C value="6.168131" />
+  <D value="-0.000023917" />
+  <E value="2" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7078E-08" />
+  <B value="0.97147" />
+  <C value="-51.16" />
+  <D value="6431" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00024966" />
+  <B value="-43.155" />
+  <C value="-0.78129" />
+  <D value="-0.0043776" />
+  <E value="-4.136E-08" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.042635" />
+  <B value="0.45147" />
+  <C value="4234" />
+  <D value="1756600" />
+  <Tmin units="K"  value="272.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035324" />
+  <B value="4.5815" />
+  <C value="-2.4942" />
+  <D value="-0.0015096" />
+  <E value="-0.0000013297" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="409.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="46120" />
+  <B value="46.029" />
+  <C value="0.6699" />
+  <D value="-0.00087892" />
+  <E value="3.4372E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.213511" />
+  <B value="-700" />
+  <C value="-4.2" />
+  <Tmin units="K"  value="253.0389" />
+  <Tmax units="K"  value="423.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.958" />
+  <B value="2350.4" />
+  <C value="-23.412" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="380.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2039" />
+  <B value="-0.019582" />
+  <C value="0.000014014" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25439" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.594883E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.6193" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2728" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="86.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46406" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.583223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2008" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0965533" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.151" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.776" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00301" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84619" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1953" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13766.21" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1014" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-97-8" />
+<Smiles name="SMILES"  value="CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4" />
+<CompoundID name="Name"  value="Isobutane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="407.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3640000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2627" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="261.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="113.54" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="113.54" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0120622" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10436" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.186" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.948E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.4E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04779" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3499E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.144E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75157" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.64812E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.956" />
+  <B value="-0.015646" />
+  <Tmin units="K"  value="45.42" />
+  <Tmax units="K"  value="113.54" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89934" />
+  <B value="0.25371" />
+  <C value="407.85" />
+  <D value="0.25125" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.84" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.58866" />
+  <B value="-4298.161" />
+  <C value="-7.798635" />
+  <D value="0.0000116" />
+  <E value="2" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="408" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4869E+07" />
+  <B value="0.64449" />
+  <C value="-0.15424" />
+  <D value="-0.28822" />
+  <E value="0.20982" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-58597" />
+  <B value="5767.7" />
+  <C value="-111.79" />
+  <D value="0.90616" />
+  <E value="-0.0024065" />
+  <Tmin units="K"  value="77" />
+  <Tmax units="K"  value="107" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89466" />
+  <B value="-323.61" />
+  <C value="12.827" />
+  <D value="-0.010476" />
+  <E value="0.000025037" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39746.03" />
+  <B value="-371.573" />
+  <C value="12.02593" />
+  <D value="0.000755039" />
+  <E value="-2.59608E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15963" />
+  <B value="-143.05" />
+  <C value="-7.3449" />
+  <D value="-502.57" />
+  <E value="799.28" />
+  <Tmin units="K"  value="204.07" />
+  <Tmax units="K"  value="1836.59" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-39.10125" />
+  <B value="1315.145" />
+  <C value="4.876982" />
+  <D value="-0.0000203993" />
+  <E value="2" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="310.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.951E-08" />
+  <B value="0.90975" />
+  <C value="-52.076" />
+  <D value="8625.4" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029586" />
+  <B value="56.323" />
+  <C value="-2.8746" />
+  <D value="0.0051627" />
+  <E value="-0.000017826" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.091178" />
+  <B value="0.18264" />
+  <C value="626.56" />
+  <D value="1124600" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007942" />
+  <B value="27.727" />
+  <C value="-3.375" />
+  <D value="0.0010263" />
+  <E value="-0.000011845" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27862" />
+  <B value="148.69" />
+  <C value="0.45538" />
+  <D value="-0.00067339" />
+  <E value="2.6964E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.913" />
+  <B value="2269.9" />
+  <C value="-19.458" />
+  <Tmin units="K"  value="249.82" />
+  <Tmax units="K"  value="366.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.42505" />
+  <B value="-0.057646" />
+  <C value="0.000091229" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="310.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25683" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.553216E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="265.4452" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="86.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.03973" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.561966" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1825" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.105238" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1502" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.772" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.006209" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.18616" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1825" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13766.21" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1055" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-28-5" />
+<Smiles name="SMILES"  value="CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1105" />
+<CompoundID name="Name"  value="1-butanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)3OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4423000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.275" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.88" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="184.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000320123" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09196" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.591" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.225E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.83737E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0524" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.746E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.503E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361480" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9372000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.45601E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.1" />
+  <B value="9.192E-09" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="194.01" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7931" />
+  <B value="0.24201" />
+  <C value="563.05" />
+  <D value="0.22263" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="543.08" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.3424" />
+  <B value="-9140.942" />
+  <C value="-10.0038" />
+  <D value="1.706963E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="563" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.03317E+08" />
+  <B value="2.061287" />
+  <C value="-3.612692" />
+  <D value="3.240107" />
+  <E value="-1.125287" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="563" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13649" />
+  <B value="1130.7" />
+  <C value="-3.374" />
+  <D value="-0.0057232" />
+  <E value="0.000046587" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="184.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118540" />
+  <B value="928.1" />
+  <C value="-3.4067" />
+  <D value="0.053827" />
+  <E value="-0.000053611" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63521" />
+  <B value="-568.25" />
+  <C value="12.587" />
+  <D value="0.0001566" />
+  <E value="-5.9966E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11374" />
+  <B value="-82.42" />
+  <C value="-54.273" />
+  <D value="35653" />
+  <E value="-154650" />
+  <Tmin units="K"  value="281.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-44.688" />
+  <B value="3409.1" />
+  <C value="4.8758" />
+  <D value="-0.0000057302" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014735" />
+  <B value="0.46162" />
+  <C value="554.37" />
+  <D value="6760.2" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.019408" />
+  <B value="-19.063" />
+  <C value="-1.4625" />
+  <D value="-0.0014843" />
+  <E value="-4.7683E-07" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022746" />
+  <B value="1.1142" />
+  <C value="3597.3" />
+  <D value="-411420" />
+  <Tmin units="K"  value="370.7" />
+  <Tmax units="K"  value="712.94" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.033153" />
+  <B value="70.924" />
+  <C value="-3.2742" />
+  <D value="0.0018256" />
+  <E value="-0.0000040925" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="413.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37141" />
+  <B value="136.32" />
+  <C value="0.55607" />
+  <D value="-0.00080567" />
+  <E value="3.2127E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-30.12876" />
+  <B value="-11453.99" />
+  <C value="-54.40369" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="563" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.469" />
+  <B value="2804" />
+  <C value="-108.82" />
+  <Tmin units="K"  value="338.95" />
+  <Tmax units="K"  value="503.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="12.049" />
+  <B value="-0.092422" />
+  <C value="0.00010714" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28409" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.110187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.9812" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2538" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.3141" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0486" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813869" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5928" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09197" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4543" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.052" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.29395" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.005612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.1355" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.593" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23289.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0919432" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-36-3" />
+<Smiles name="SMILES"  value="CCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1106" />
+<CompoundID name="Name"  value="2-methyl-1-propanol" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="547.78" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.273" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="381.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.46096E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.59" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.332E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05239" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.832E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.549E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6322000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2052" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.449E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.341" />
+  <B value="-0.010401" />
+  <Tmin units="K"  value="66.06" />
+  <Tmax units="K"  value="165.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.80194" />
+  <B value="0.24515" />
+  <C value="547.81" />
+  <D value="0.21175" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="547.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.0368" />
+  <B value="-12288.81" />
+  <C value="-22.23928" />
+  <D value="0.0000131856" />
+  <E value="2" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="547.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1411E+07" />
+  <B value="-0.67703" />
+  <C value="2.6884" />
+  <D value="-2.3416" />
+  <E value="0.75942" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="527.66" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10092" />
+  <B value="1083.5" />
+  <C value="-3.0549" />
+  <D value="-0.01591" />
+  <E value="0.00010676" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="171.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="114500" />
+  <B value="844.65" />
+  <C value="-3.6753" />
+  <D value="0.058766" />
+  <E value="-0.000062464" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="403.87" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20857" />
+  <B value="-275.26" />
+  <C value="12.137" />
+  <D value="0.00070478" />
+  <E value="-0.0000002462" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1509" />
+  <B value="-136.83" />
+  <C value="-28.494" />
+  <D value="728.11" />
+  <E value="-79012" />
+  <Tmin units="K"  value="301.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-107.9662" />
+  <B value="6199.736" />
+  <C value="14.5721" />
+  <D value="-0.000017552" />
+  <E value="2" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9881E-07" />
+  <B value="0.52424" />
+  <C value="295.54" />
+  <D value="17281" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.27685" />
+  <B value="36.722" />
+  <C value="-1.0689" />
+  <D value="0.00066056" />
+  <E value="-0.0000014048" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="488.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2189.9" />
+  <B value="0.91222" />
+  <C value="1.1244E+10" />
+  <D value="-5.1003E+11" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010474" />
+  <B value="-225.69" />
+  <C value="-0.88163" />
+  <D value="-0.0069349" />
+  <E value="0.0000033337" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="380.81" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7708" />
+  <B value="468.9" />
+  <C value="-0.2884" />
+  <D value="0.00007231" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.41508" />
+  <B value="-8850" />
+  <C value="-53.1" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.336" />
+  <B value="2645.8" />
+  <C value="-111.22" />
+  <Tmin units="K"  value="330.35" />
+  <Tmax units="K"  value="488.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.484" />
+  <B value="-0.074098" />
+  <C value="0.000068531" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.152084E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.4898" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.75293" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804234" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58828" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09235" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4535" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.048" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.58613" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.592" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23750.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0930277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-83-1" />
+<Smiles name="SMILES"  value="OCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1107" />
+<CompoundID name="Name"  value="2-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4179000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.269" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.16526E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09235" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.574" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.203E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05239" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.929E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.696E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="364690" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5971000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2365" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4408E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.976" />
+  <B value="-0.011447" />
+  <Tmin units="K"  value="63.38" />
+  <Tmax units="K"  value="158.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65041" />
+  <B value="0.21558" />
+  <C value="536.05" />
+  <D value="0.22084" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="516.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="145.55" />
+  <B value="-10811" />
+  <C value="-17.957" />
+  <D value="0.0000094132" />
+  <E value="2" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="536.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.123771E+07" />
+  <B value="1.779726" />
+  <C value="-3.389854" />
+  <D value="3.546493" />
+  <E value="-1.385264" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="516.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10538" />
+  <B value="1245.7" />
+  <C value="-7.8474" />
+  <D value="0.033221" />
+  <E value="-0.000052097" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="184.73" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68513" />
+  <B value="631.42" />
+  <C value="2.7425" />
+  <D value="0.03164" />
+  <E value="-0.000028572" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="372.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70319" />
+  <B value="-564.51" />
+  <C value="12.517" />
+  <D value="0.00018661" />
+  <E value="-6.3166E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18777" />
+  <B value="-172.62" />
+  <C value="-36.943" />
+  <D value="-5764.3" />
+  <E value="4704.5" />
+  <Tmin units="K"  value="268.1" />
+  <Tmax units="K"  value="1955" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="19.329" />
+  <B value="3026.9" />
+  <C value="-6.6532" />
+  <D value="0.000029986" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3231E-07" />
+  <B value="0.76798" />
+  <C value="139.73" />
+  <D value="-4888.6" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.031711" />
+  <B value="-158.34" />
+  <C value="-0.24491" />
+  <D value="-0.0057475" />
+  <E value="0.000002591" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000011661" />
+  <B value="1.7056" />
+  <C value="340.33" />
+  <D value="-60553" />
+  <Tmin units="K"  value="281.21" />
+  <Tmax units="K"  value="992.7" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013468" />
+  <B value="-124.81" />
+  <C value="-1.739" />
+  <D value="-0.0040653" />
+  <E value="6.6383E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="372.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32094" />
+  <B value="237.47" />
+  <C value="0.22682" />
+  <D value="-0.00042736" />
+  <E value="1.7602E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-30.07289" />
+  <B value="-11424.69" />
+  <C value="-54.73557" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.402" />
+  <B value="2657.7" />
+  <C value="-103.45" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="476.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="18.793" />
+  <B value="-0.12678" />
+  <C value="0.00014902" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28029" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.297213E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="244.9968" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.21667" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0476" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813869" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5792" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09235" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4535" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.048" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.601957" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.600508" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.94166" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.571133" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22629.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0921178" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-92-2" />
+<Smiles name="SMILES"  value="CCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1108" />
+<CompoundID name="Name"  value="2-methyl-2-propanol" />
+<StructureFormula name="Structure"  value="C(CH3)3OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="506.21" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3973000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.275" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="355.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="298.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="298.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5884.28" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09488" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.613" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.067E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05238" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.124E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.776E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="326300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6703000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.199" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4239E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.269" />
+  <B value="-0.0042735" />
+  <Tmin units="K"  value="119.59" />
+  <Tmax units="K"  value="298.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40838" />
+  <B value="0.17034" />
+  <C value="508.88" />
+  <D value="0.1974" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="508.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="196.8976" />
+  <B value="-12439.78" />
+  <C value="-26.03107" />
+  <D value="0.0000198743" />
+  <E value="2" />
+  <Tmin units="K"  value="252.75" />
+  <Tmax units="K"  value="506.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.49928E+07" />
+  <B value="1.077392" />
+  <C value="-0.185452" />
+  <D value="-0.822732" />
+  <E value="0.535399" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="506.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6950.4" />
+  <B value="346.65" />
+  <C value="4.7374" />
+  <D value="-0.035946" />
+  <E value="0.000081348" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="286.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-158220" />
+  <B value="-166.8" />
+  <C value="13.168" />
+  <D value="0.0013959" />
+  <E value="-0.0000019876" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65560" />
+  <B value="-540.88" />
+  <C value="12.558" />
+  <D value="0.00014695" />
+  <E value="-5.2324E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18659" />
+  <B value="-157.11" />
+  <C value="-31.789" />
+  <D value="-4775.1" />
+  <E value="5156.6" />
+  <Tmin units="K"  value="253.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-933.24" />
+  <B value="39184" />
+  <C value="142.25" />
+  <D value="-0.0001583" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="451.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5934E-07" />
+  <B value="0.64853" />
+  <C value="136.6" />
+  <D value="9124.5" />
+  <Tmin units="K"  value="298.97" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0056947" />
+  <B value="358.71" />
+  <C value="-5.5774" />
+  <D value="0.012913" />
+  <E value="-0.000018273" />
+  <Tmin units="K"  value="298.97" />
+  <Tmax units="K"  value="404.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="4.2365E-07" />
+  <B value="1.7929" />
+  <C value="-130.93" />
+  <D value="17989" />
+  <Tmin units="K"  value="278.59" />
+  <Tmax units="K"  value="766.87" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.0025589" />
+  <B value="-1098.2" />
+  <C value="4.0953" />
+  <D value="-0.014096" />
+  <E value="-0.0000031561" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="355.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21709" />
+  <B value="299.75" />
+  <C value="0.12613" />
+  <D value="-0.00036251" />
+  <E value="1.6188E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.291" />
+  <B value="2437.7" />
+  <C value="-105.93" />
+  <Tmin units="K"  value="303.83" />
+  <Tmax units="K"  value="451.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="17.837" />
+  <B value="-0.11457" />
+  <C value="0.00012188" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="451.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2876" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.110187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.9095" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1555" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0466" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781255" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.61339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09488" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4528" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.128" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.745244" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.484002" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.2932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.612" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21491.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0948614" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-65-0" />
+<Smiles name="SMILES"  value="CC(C)(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1402" />
+<CompoundID name="Name"  value="Diethyl ether" />
+<StructureFormula name="Structure"  value="CH3CH2OCH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="466.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3640000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.28" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="156.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="156.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.395447" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10475" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.177E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0515" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.521E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.221E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="342300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7190000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9084" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5035E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.584" />
+  <B value="-0.010419" />
+  <Tmin units="K"  value="62.74" />
+  <Tmax units="K"  value="156.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97479" />
+  <B value="0.27114" />
+  <C value="466.7" />
+  <D value="0.28433" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="75.39748" />
+  <B value="-5436.852" />
+  <C value="-8.193869" />
+  <D value="7.812562E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.331574E+07" />
+  <B value="0.876213" />
+  <C value="0.475413" />
+  <D value="-1.944676" />
+  <E value="1.061631" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15828" />
+  <B value="1425.3" />
+  <C value="-4.6851" />
+  <D value="-0.021451" />
+  <E value="0.00015406" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="156.92" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145290" />
+  <B value="-2.8208" />
+  <C value="5.9722" />
+  <D value="0.017041" />
+  <E value="-0.0000078238" />
+  <Tmin units="K"  value="156.92" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81727" />
+  <B value="-660.7" />
+  <C value="12.61" />
+  <D value="0.00016979" />
+  <E value="-7.4028E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15776" />
+  <B value="-130.42" />
+  <C value="-20.822" />
+  <D value="-1690" />
+  <E value="2592.4" />
+  <Tmin units="K"  value="233.35" />
+  <Tmax units="K"  value="1866.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="10.139" />
+  <B value="-61.707" />
+  <C value="-3.2168" />
+  <D value="-9.5022E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000019481" />
+  <B value="0.40997" />
+  <C value="495.46" />
+  <D value="85.073" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14221" />
+  <B value="30.008" />
+  <C value="-1.3139" />
+  <D value="0.00048013" />
+  <E value="-0.0000026572" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.0044909" />
+  <B value="0.61494" />
+  <C value="-3258.3" />
+  <D value="85.806" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0086293" />
+  <B value="70.513" />
+  <C value="-3.7435" />
+  <D value="0.002828" />
+  <E value="-0.0000115" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38346" />
+  <B value="311.73" />
+  <C value="-0.15548" />
+  <D value="0.00010942" />
+  <E value="-5.8035E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.371722" />
+  <B value="-2150" />
+  <C value="-12.9" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.982" />
+  <B value="2524.9" />
+  <C value="-40.677" />
+  <Tmin units="K"  value="283.9" />
+  <Tmax units="K"  value="417.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.7993" />
+  <B value="-0.020592" />
+  <C value="0.000017313" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2838" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.49E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="362" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.00625" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0376" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.713" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28099" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104692" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.39" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.02" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.024" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.284607" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15530.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104692" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="60-29-7" />
+<Smiles name="SMILES"  value="CCOCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1202" />
+<CompoundID name="Name"  value="Diethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="744.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.232" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="262.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="262.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00319709" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.12" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0952681" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.622105" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.739E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0607" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.92E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.464E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.84E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.3481E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="3.1418" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.155E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.607" />
+  <B value="-0.0056939" />
+  <Tmin units="K"  value="105.08" />
+  <Tmax units="K"  value="262.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81894" />
+  <B value="0.25823" />
+  <C value="744.6" />
+  <D value="0.23979" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="719.24" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="46.26595" />
+  <B value="-10205.15" />
+  <C value="-2.102723" />
+  <D value="-7.036466E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="744.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0853E+08" />
+  <B value="-0.00876655" />
+  <C value="1.770951" />
+  <D value="-1.359893" />
+  <E value="-0.0210292" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="744.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5791.1" />
+  <B value="739.7" />
+  <C value="-1.4583" />
+  <D value="0.003773" />
+  <E value="-0.0000043193" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="262.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188290" />
+  <B value="227.63" />
+  <C value="5.7157" />
+  <D value="0.020545" />
+  <E value="-0.000018798" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82107" />
+  <B value="-687.16" />
+  <C value="13.353" />
+  <D value="-0.00070647" />
+  <E value="2.4155E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.0058126" />
+  <B value="205.06" />
+  <C value="-277.68" />
+  <D value="1325800" />
+  <E value="-7165900" />
+  <Tmin units="K"  value="372.3" />
+  <Tmax units="K"  value="1564" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-374.29" />
+  <B value="18192" />
+  <C value="55.132" />
+  <D value="-0.000049166" />
+  <E value="2" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="595.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4523E-08" />
+  <B value="0.8468" />
+  <C value="24.322" />
+  <D value="7352.9" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11579" />
+  <B value="8.2246" />
+  <C value="-1.6466" />
+  <D value="0.002673" />
+  <E value="-0.0000035412" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="517.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="500.16" />
+  <B value="1.0276" />
+  <C value="7.9617E+09" />
+  <D value="-7.5258E+11" />
+  <Tmin units="K"  value="456.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.030468" />
+  <B value="-174.37" />
+  <C value="-1.1319" />
+  <D value="-0.0029512" />
+  <E value="4.9272E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="518.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8099.9" />
+  <B value="599.05" />
+  <C value="-0.41929" />
+  <D value="0.00011046" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-10.44195" />
+  <B value="-9962.105" />
+  <C value="-59.06982" />
+  <Tmin units="K"  value="278" />
+  <Tmax units="K"  value="744" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.901" />
+  <B value="3422.4" />
+  <C value="-153.31" />
+  <Tmin units="K"  value="447.33" />
+  <Tmax units="K"  value="668.51" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="9.862" />
+  <B value="-0.057143" />
+  <C value="0.000042368" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="595.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3889" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.306526E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="252.6928" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.03" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-8.3213" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0583" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.12142" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.2005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0952681" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.9415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.8" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="13.224" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.621104" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27775.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0952681" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-46-6" />
+<Smiles name="SMILES"  value="OCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1710" />
+<CompoundID name="Name"  value="Diethylamine" />
+<StructureFormula name="Structure"  value="C2H5NHC2H5" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="496.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3710000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.301" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="328.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="374.108" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="73.138" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10424" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.303856" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.172E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05588" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.142E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.308E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.14E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8003E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.411" />
+  <B value="-0.0066259" />
+  <Tmin units="K"  value="89.34" />
+  <Tmax units="K"  value="223.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73036" />
+  <B value="0.23814" />
+  <C value="496.66" />
+  <D value="0.24991" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="496.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="64.68388" />
+  <B value="-5484.939" />
+  <C value="-6.37255" />
+  <D value="4.185124E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="496.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.911798E+07" />
+  <B value="0.292165" />
+  <C value="-0.28266" />
+  <D value="0.355094" />
+  <E value="0.0257197" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="482.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4978.9" />
+  <B value="695.29" />
+  <C value="-1.524" />
+  <D value="0.0044408" />
+  <E value="-0.0000057807" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="223.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107090" />
+  <B value="694.46" />
+  <C value="2.8508" />
+  <D value="0.027204" />
+  <E value="-0.000024864" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="368.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85298" />
+  <B value="-793.64" />
+  <C value="13.085" />
+  <D value="-0.00026826" />
+  <E value="6.6572E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16812" />
+  <B value="-207.88" />
+  <C value="-22.248" />
+  <D value="-1109.7" />
+  <E value="896.13" />
+  <Tmin units="K"  value="248.3" />
+  <Tmax units="K"  value="1986.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-21.138" />
+  <B value="1492" />
+  <C value="1.4401" />
+  <D value="-0.0000012994" />
+  <E value="2" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="329.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.3797E-07" />
+  <B value="0.60244" />
+  <C value="253.34" />
+  <D value="-614.36" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.066644" />
+  <B value="-97.786" />
+  <C value="-0.73312" />
+  <D value="-0.0054502" />
+  <E value="-7.5663E-08" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016939" />
+  <B value="1.2488" />
+  <C value="-114.17" />
+  <D value="77881" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.045239" />
+  <B value="-2.3813" />
+  <C value="-2.2833" />
+  <D value="-0.0012617" />
+  <E value="-7.5666E-07" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="482.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25176" />
+  <B value="269.16" />
+  <C value="0.23513" />
+  <D value="-0.00045738" />
+  <E value="1.9123E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-0.95" />
+  <B value="-1000" />
+  <C value="-75" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="496" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.038" />
+  <B value="2654.5" />
+  <C value="-49.762" />
+  <Tmin units="K"  value="297.97" />
+  <Tmax units="K"  value="443.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0998" />
+  <B value="-0.048496" />
+  <C value="0.000059737" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="329.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29183" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.018163E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.9575" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.27" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="93.55" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0392" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.707" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3045" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104234" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.68" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.17" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.303733" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16543.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104234" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-89-7" />
+<Smiles name="SMILES"  value="CCNCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1889" />
+<CompoundID name="Name"  value="Furfural" />
+<StructureFormula name="Structure"  value="(OC4H3)CHO" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.54565" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="96.0841" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0832248" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.367784" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.35E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04812" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.25E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.51E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.028E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4331" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2564E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.038" />
+  <B value="-0.0073899" />
+  <Tmin units="K"  value="94.66" />
+  <Tmax units="K"  value="236.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0614" />
+  <B value="0.26706" />
+  <C value="670.15" />
+  <D value="0.30028" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="25.656" />
+  <B value="-5514" />
+  <C value="-0.19573" />
+  <D value="-0.0000013402" />
+  <E value="2" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="670.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3009E+07" />
+  <B value="0.4784" />
+  <C value="0.066802" />
+  <D value="-0.59102" />
+  <E value="0.42453" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6836.7" />
+  <B value="503.49" />
+  <C value="-0.0034192" />
+  <D value="-0.0033694" />
+  <E value="0.0000088513" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="236.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122630" />
+  <B value="404.51" />
+  <C value="3.0587" />
+  <D value="0.029945" />
+  <E value="-0.000031496" />
+  <Tmin units="K"  value="246.56" />
+  <Tmax units="K"  value="471.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45855" />
+  <B value="-497.61" />
+  <C value="12.549" />
+  <D value="-0.000033724" />
+  <E value="-2.8785E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15692" />
+  <B value="-204.6" />
+  <C value="-63.981" />
+  <D value="-111350" />
+  <E value="220560" />
+  <Tmin units="K"  value="335.07" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="2.6487" />
+  <B value="910.16" />
+  <C value="-2.1754" />
+  <D value="0.0000028413" />
+  <E value="2" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="536.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1928E-08" />
+  <B value="0.91224" />
+  <C value="70.285" />
+  <D value="-5476.4" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.13228" />
+  <B value="19058" />
+  <C value="-182.25" />
+  <D value="0.56426" />
+  <E value="-0.00059782" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="466.63" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022183" />
+  <B value="0.91119" />
+  <C value="617.18" />
+  <D value="55137" />
+  <Tmin units="K"  value="434.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.023307" />
+  <B value="51.068" />
+  <C value="-2.7476" />
+  <D value="0.00047578" />
+  <E value="-0.000003172" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4779.126" />
+  <B value="385.556" />
+  <C value="-0.233346" />
+  <D value="0.0000499707" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4" />
+  <B value="-10000" />
+  <C value="-50" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="670" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.467" />
+  <B value="4392.1" />
+  <C value="-32.683" />
+  <Tmin units="K"  value="405.3" />
+  <Tmax units="K"  value="601.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.70056" />
+  <B value="-0.032345" />
+  <C value="0.000028487" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="536.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.255652" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.046311E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.1523" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258287" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.96" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.25422" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0384" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.15394" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08323" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.168" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.484" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.484" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.5842" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23643.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0831649" />
+<UnifacVLE name="UNIFAC" >
+  <group id="62"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="22"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="48"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="62"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="62"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="61"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-01-1" />
+<Smiles name="SMILES"  value="O1C=CC=C1(C=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1791" />
+<CompoundID name="Name"  value="Pyridine" />
+<StructureFormula name="Structure"  value="-CHCHCHCHCHN-" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="620" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.53" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="20.5354" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="79.101" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.242" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.938E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21570" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.31E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0455" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.4037E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9049E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="282780" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8280000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87684" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.6721E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.748" />
+  <B value="-0.0080994" />
+  <Tmin units="K"  value="92.6" />
+  <Tmax units="K"  value="231.51" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67102" />
+  <B value="0.2057" />
+  <C value="620" />
+  <D value="0.26001" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.05373" />
+  <B value="-7269.578" />
+  <C value="-8.810082" />
+  <D value="4.816564E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.4421E+07" />
+  <B value="2.7457" />
+  <C value="-5.3078" />
+  <D value="4.8654" />
+  <E value="-1.7952" />
+  <Tmin units="K"  value="231.48" />
+  <Tmax units="K"  value="619.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11015" />
+  <B value="1416.6" />
+  <C value="-12.963" />
+  <D value="0.059131" />
+  <E value="-0.000091912" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="231.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101830" />
+  <B value="209.77" />
+  <C value="5.3544" />
+  <D value="0.019802" />
+  <E value="-0.000018129" />
+  <Tmin units="K"  value="231.49" />
+  <Tmax units="K"  value="388.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36223" />
+  <B value="-620.9" />
+  <C value="12.812" />
+  <D value="-0.00029215" />
+  <E value="7.7524E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12072" />
+  <B value="-161.9" />
+  <C value="-37.161" />
+  <D value="-139.47" />
+  <E value="-4487.4" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1860" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-82.798" />
+  <B value="4102.8" />
+  <C value="11.028" />
+  <D value="-0.0000093419" />
+  <E value="2" />
+  <Tmin units="K"  value="231.53" />
+  <Tmax units="K"  value="495.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.339E-08" />
+  <B value="0.90066" />
+  <C value="85.55" />
+  <D value="-5060.2" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.018788" />
+  <B value="-54.761" />
+  <C value="-1.2916" />
+  <D value="-0.00062226" />
+  <E value="-0.0000029942" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="563.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-7052.4" />
+  <B value="0.17223" />
+  <C value="-5.768E+07" />
+  <D value="-1.624E+11" />
+  <Tmin units="K"  value="366.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011563" />
+  <B value="125.96" />
+  <C value="-3.6937" />
+  <D value="0.0030162" />
+  <E value="-0.0000074304" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-29142" />
+  <B value="410.64" />
+  <C value="-0.14517" />
+  <D value="-0.00013262" />
+  <E value="9.121E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.907" />
+  <B value="-6630" />
+  <C value="-39.78" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.746" />
+  <B value="2867.3" />
+  <C value="-77.074" />
+  <Tmin units="K"  value="372.6" />
+  <Tmax units="K"  value="555.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.2319" />
+  <B value="-0.040488" />
+  <C value="0.000043237" />
+  <Tmin units="K"  value="231.53" />
+  <Tmax units="K"  value="495.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.241529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.763807E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="348.9357" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269325" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.29" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.32187" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0357" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.98877" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.238898" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0808341" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.16" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84706" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.238898" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21804.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0808341" />
+<UnifacVLE name="UNIFAC" >
+  <group id="38"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="50"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="47"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="38"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="38"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="196"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-86-1" />
+<Smiles name="SMILES"  value="n1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="309" />
+<CompoundID name="Name"  value="Isoprene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CHCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="484" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3850030" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.205" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="127.27" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="127.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00247682" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="68.117" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.100775" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.158323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.213E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.3391E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05103" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7.57304E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.45896E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315641" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4924570" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.58571" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.98424E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.48" />
+  <B value="-0.013452" />
+  <Tmin units="K"  value="50.91" />
+  <Tmax units="K"  value="127.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.95762" />
+  <B value="0.265" />
+  <C value="484" />
+  <D value="0.28587" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.64382" />
+  <B value="-4808.579" />
+  <C value="-5.723014" />
+  <D value="3.325462E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="484" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7482E+07" />
+  <B value="1.7472" />
+  <C value="-3.7153" />
+  <D value="4.0508" />
+  <E value="-1.6134" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16398" />
+  <B value="1662.9" />
+  <C value="-14.306" />
+  <D value="0.058927" />
+  <E value="-0.000016497" />
+  <Tmin units="K"  value="20.39" />
+  <Tmax units="K"  value="115.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111430" />
+  <B value="579.88" />
+  <C value="0.11179" />
+  <D value="0.042713" />
+  <E value="-0.000046991" />
+  <Tmin units="K"  value="130.32" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46067" />
+  <B value="-400.72" />
+  <C value="12.189" />
+  <D value="0.00043981" />
+  <E value="-1.4681E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16606" />
+  <B value="-184.38" />
+  <C value="-17.394" />
+  <D value="5931.3" />
+  <E value="-15000" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.3004" />
+  <B value="457.06" />
+  <C value="-0.22583" />
+  <D value="-0.0000048674" />
+  <E value="2" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.2484E-07" />
+  <B value="0.58768" />
+  <C value="291.05" />
+  <D value="-6176.5" />
+  <Tmin units="K"  value="307.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0093138" />
+  <B value="-47.475" />
+  <C value="-0.82654" />
+  <D value="-0.0037828" />
+  <E value="8.2245E-07" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0010775" />
+  <B value="0.73105" />
+  <C value="657.17" />
+  <D value="112780" />
+  <Tmin units="K"  value="307.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011474" />
+  <B value="19.002" />
+  <C value="-3.0114" />
+  <D value="-0.00040883" />
+  <E value="-0.000005756" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5017.2" />
+  <B value="394.61" />
+  <C value="-0.22753" />
+  <D value="0.000050803" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.515" />
+  <B value="2346.3" />
+  <C value="-46.175" />
+  <Tmin units="K"  value="293.36" />
+  <Tmax units="K"  value="427.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.485" />
+  <B value="-0.018048" />
+  <C value="0.000015516" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2691" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.006525E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.5367" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.99129" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0361" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.684846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.17" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.100775" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.36" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.01" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.023298" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.31457" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1642" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15333.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.100775" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-79-5" />
+<Smiles name="SMILES"  value="C=C(C)C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="104" />
+<CompoundID name="Name"  value="Cyclopentane" />
+<StructureFormula name="Structure"  value="-(CH2)5-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="511.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4508000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="322.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="179.311" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.07217" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09473" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.85E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04969" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.703E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.885E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="292900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="608800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77594" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0709E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.24" />
+  <B value="-0.010626" />
+  <Tmin units="K"  value="71.71" />
+  <Tmax units="K"  value="179.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.92461" />
+  <B value="0.26305" />
+  <C value="511.77" />
+  <D value="0.22002" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="511.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-74.77148" />
+  <B value="-401.0576" />
+  <C value="15.6271" />
+  <D value="-0.0000260872" />
+  <E value="2" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="511.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.513618E+07" />
+  <B value="1.248318" />
+  <C value="-2.311302" />
+  <D value="2.401073" />
+  <E value="-0.943348" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="494.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-39074" />
+  <B value="2770.3" />
+  <C value="-35.305" />
+  <D value="0.22637" />
+  <E value="-0.000515" />
+  <Tmin units="K"  value="26.16" />
+  <Tmax units="K"  value="163.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84725" />
+  <B value="368.5" />
+  <C value="3.0559" />
+  <D value="0.030633" />
+  <E value="-0.000031124" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="322.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39785" />
+  <B value="-704.2" />
+  <C value="13.082" />
+  <D value="-0.00014913" />
+  <E value="2.4491E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14457" />
+  <B value="-136.77" />
+  <C value="-19.525" />
+  <D value="1064.5" />
+  <E value="-3861.2" />
+  <Tmin units="K"  value="255.8" />
+  <Tmax units="K"  value="1790.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.1843" />
+  <B value="670.87" />
+  <C value="-0.84082" />
+  <D value="-7.0656E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="325" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1433E-07" />
+  <B value="0.68815" />
+  <C value="135.42" />
+  <D value="-1597.6" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10961" />
+  <B value="-598.59" />
+  <C value="3.5098" />
+  <D value="-0.016258" />
+  <E value="-0.0000091635" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="322.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000098408" />
+  <B value="1.4611" />
+  <C value="639.53" />
+  <D value="7396.1" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069318" />
+  <B value="73.276" />
+  <C value="-3.5449" />
+  <D value="0.0024935" />
+  <E value="-0.000011185" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="494.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="41730" />
+  <B value="-164.08" />
+  <C value="1.4897" />
+  <D value="-0.0018039" />
+  <E value="6.8303E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.116" />
+  <B value="2809.4" />
+  <C value="-29.479" />
+  <Tmin units="K"  value="310.22" />
+  <Tmax units="K"  value="459.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.2213" />
+  <B value="-0.033291" />
+  <C value="0.000037759" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="325" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.26001" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.582283E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.4265" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2687" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.036" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.748874" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19686" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0935089" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.47" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003383" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2051" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16589.01" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0947" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="5" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="287-92-3" />
+<Smiles name="SMILES"  value="C1CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="212" />
+<CompoundID name="Name"  value="2-methyl-1-butene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="465" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3447000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="304.305" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="135.578" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="135.578" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0205382" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.1329" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10872" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.234056" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.287E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05452" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.53E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.668E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7910700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.83569" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1159E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.346" />
+  <B value="-0.01138" />
+  <Tmin units="K"  value="54.23" />
+  <Tmax units="K"  value="135.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.91622" />
+  <B value="0.26752" />
+  <C value="465" />
+  <D value="0.28165" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.29304" />
+  <B value="-5304.146" />
+  <C value="-8.607604" />
+  <D value="9.513458E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6374E+07" />
+  <B value="1.4214" />
+  <C value="-2.5789" />
+  <D value="2.5516" />
+  <E value="-0.95454" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17830" />
+  <B value="1684.7" />
+  <C value="-14.234" />
+  <D value="0.073506" />
+  <E value="-0.00014133" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="135.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121560" />
+  <B value="527.31" />
+  <C value="1.2291" />
+  <D value="0.036295" />
+  <E value="-0.000037525" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81218" />
+  <B value="-803.24" />
+  <C value="13.077" />
+  <D value="-0.00034159" />
+  <E value="9.7536E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16678" />
+  <B value="-164.7" />
+  <C value="-17.388" />
+  <D value="-73.693" />
+  <E value="-374.88" />
+  <Tmin units="K"  value="232.5" />
+  <Tmax units="K"  value="1860" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.065" />
+  <B value="690.04" />
+  <C value="-0.13044" />
+  <D value="0.0000004745" />
+  <E value="2" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0873E-07" />
+  <B value="0.55006" />
+  <C value="197.77" />
+  <D value="-68.455" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.024046" />
+  <B value="2.4654" />
+  <C value="-1.5931" />
+  <D value="-0.00074325" />
+  <E value="-0.0000024745" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018088" />
+  <B value="0.94101" />
+  <C value="77.857" />
+  <D value="153680" />
+  <Tmin units="K"  value="304.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087828" />
+  <B value="42.635" />
+  <C value="-3.4174" />
+  <D value="0.001427" />
+  <E value="-0.0000096911" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-289.0224" />
+  <B value="434.7176" />
+  <C value="-0.232806" />
+  <D value="0.0000469361" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.951" />
+  <B value="2552.6" />
+  <C value="-33.481" />
+  <Tmin units="K"  value="280.07" />
+  <Tmax units="K"  value="412.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.24348" />
+  <B value="-0.050824" />
+  <C value="0.000078622" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2887" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.233585E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="237.8319" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.270022" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.06763" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.65438" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23544" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10868" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5939" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.224" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00351" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.08406" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.228663" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14695.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10868" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-46-2" />
+<Smiles name="SMILES"  value="C=C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="213" />
+<CompoundID name="Name"  value="3-methyl-1-butene" />
+<StructureFormula name="Structure"  value="CH2CHCH(CH3)CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="452.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3049" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="293.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="104.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="104.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000144678" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11277" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.211" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.272E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05453" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.76E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.605E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5359700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82876" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1253E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.464" />
+  <B value="-0.015739" />
+  <Tmin units="K"  value="41.86" />
+  <Tmax units="K"  value="104.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85968" />
+  <B value="0.26229" />
+  <C value="452.7" />
+  <D value="0.27579" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.66163" />
+  <B value="-4956.256" />
+  <C value="-8.290047" />
+  <D value="0.0000100425" />
+  <E value="2" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="452.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.9174E+07" />
+  <B value="0.58094" />
+  <C value="0.12579" />
+  <D value="-0.78785" />
+  <E value="0.49354" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31134" />
+  <B value="2580.1" />
+  <C value="-35.586" />
+  <D value="0.27843" />
+  <E value="-0.00080931" />
+  <Tmin units="K"  value="29.5" />
+  <Tmax units="K"  value="104.71" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94996" />
+  <B value="92.422" />
+  <C value="8.4061" />
+  <D value="0.009093" />
+  <E value="-0.0000045826" />
+  <Tmin units="K"  value="103.08" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82557" />
+  <B value="-671.08" />
+  <C value="12.784" />
+  <D value="-0.00012458" />
+  <E value="4.234E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17117" />
+  <B value="-168.7" />
+  <C value="-14.362" />
+  <D value="-474.16" />
+  <E value="518.37" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="1841" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.214" />
+  <B value="821.55" />
+  <C value="-0.010133" />
+  <D value="9.4673E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="362.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000016555" />
+  <B value="0.42535" />
+  <C value="455.3" />
+  <D value="876.91" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.017622" />
+  <B value="5.9209" />
+  <C value="-1.694" />
+  <D value="-0.00045405" />
+  <E value="-0.0000033564" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="293.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014816" />
+  <B value="0.97375" />
+  <C value="75.281" />
+  <D value="116540" />
+  <Tmin units="K"  value="293.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01585" />
+  <B value="5.8469" />
+  <C value="-2.8491" />
+  <D value="-0.0010934" />
+  <E value="-0.0000040903" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="17527" />
+  <B value="348.48" />
+  <C value="-0.034588" />
+  <D value="-0.00016105" />
+  <E value="7.932E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.734" />
+  <B value="2400.8" />
+  <C value="-32.491" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="397.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.3377" />
+  <B value="-0.058937" />
+  <C value="0.000086079" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="362.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29398" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.593622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="334.6082" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272045" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0389" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.63127" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2266" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.111819" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5945" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.1" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011281" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14010.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.111819" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-45-1" />
+<Smiles name="SMILES"  value="C=CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="214" />
+<CompoundID name="Name"  value="2-methyl-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHC(CH3)CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="470" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="311.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.01937" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10757" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.339" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.281E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05449" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.05E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.18E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.045E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7597700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91429" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1088E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.146" />
+  <B value="-0.010308" />
+  <Tmin units="K"  value="55.76" />
+  <Tmax units="K"  value="139.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.93623" />
+  <B value="0.2731" />
+  <C value="470" />
+  <D value="0.25849" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.2327" />
+  <B value="-5590.502" />
+  <C value="-9.366663" />
+  <D value="0.0000104545" />
+  <E value="2" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3456E+07" />
+  <B value="0.64226" />
+  <C value="-0.070051" />
+  <D value="-0.5395" />
+  <E value="0.35656" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16158" />
+  <B value="1388.9" />
+  <C value="-5.5663" />
+  <D value="0.0010355" />
+  <E value="0.000064486" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="139.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127040" />
+  <B value="1071.7" />
+  <C value="-7.883" />
+  <D value="0.075072" />
+  <E value="-0.000089164" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75343" />
+  <B value="-774.17" />
+  <C value="12.975" />
+  <D value="-0.00022009" />
+  <E value="6.0763E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15944" />
+  <B value="-148.27" />
+  <C value="-25.542" />
+  <D value="2329.9" />
+  <E value="-6400.9" />
+  <Tmin units="K"  value="235" />
+  <Tmax units="K"  value="1880" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.234" />
+  <B value="703.42" />
+  <C value="0.094871" />
+  <D value="-0.0000017625" />
+  <E value="2" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6256E-07" />
+  <B value="0.47637" />
+  <C value="263.56" />
+  <D value="-2475.7" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050847" />
+  <B value="3.0532" />
+  <C value="-1.4724" />
+  <D value="-0.00063704" />
+  <E value="-0.0000020121" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00020806" />
+  <B value="0.92265" />
+  <C value="107.34" />
+  <D value="175680" />
+  <Tmin units="K"  value="311.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01137" />
+  <B value="35.757" />
+  <C value="-3.2605" />
+  <D value="0.00094463" />
+  <E value="-0.0000079469" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10310" />
+  <B value="326.78" />
+  <C value="0.022449" />
+  <D value="-0.00020786" />
+  <E value="9.3122E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.057" />
+  <B value="2659.5" />
+  <C value="-32.673" />
+  <Tmin units="K"  value="282.62" />
+  <Tmax units="K"  value="417.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.6872" />
+  <B value="-0.046426" />
+  <C value="0.000068039" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2883" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.513596E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.3953" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260813" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.00916" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.666109" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28518" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106707" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5919" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.22" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004255" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.46734" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.27667" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15247.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106707" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="7"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="513-35-9" />
+<Smiles name="SMILES"  value="CC(C)=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="209" />
+<CompoundID name="Name"  value="1-pentene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)2CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="464.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2984" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="303.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="108.016" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="108.016" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000037" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1104" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.231E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05454" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.76E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.162E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.837E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="346200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5937400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85507" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.13037E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.614" />
+  <B value="-0.014969" />
+  <Tmin units="K"  value="43.21" />
+  <Tmax units="K"  value="108.02" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44335" />
+  <B value="0.18566" />
+  <C value="473.43" />
+  <D value="0.23587" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="473.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="39.52954" />
+  <B value="-3893.399" />
+  <C value="-2.686504" />
+  <D value="1.952359E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="465.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.077277E+07" />
+  <B value="-0.570706" />
+  <C value="2.243398" />
+  <D value="-2.258065" />
+  <E value="0.928488" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="464.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9888.9" />
+  <B value="900.04" />
+  <C value="11.178" />
+  <D value="-0.22603" />
+  <E value="0.0010726" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="108.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92753" />
+  <B value="117.21" />
+  <C value="8.6537" />
+  <D value="0.007447" />
+  <E value="-0.0000026759" />
+  <Tmin units="K"  value="107.9" />
+  <Tmax units="K"  value="372" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66520" />
+  <B value="-609.44" />
+  <C value="12.683" />
+  <D value="0.000062395" />
+  <E value="-2.5354E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20469" />
+  <B value="-223.9" />
+  <C value="-8.6984" />
+  <D value="-4100.9" />
+  <E value="7778.7" />
+  <Tmin units="K"  value="228" />
+  <Tmax units="K"  value="1858.96" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.79591" />
+  <B value="682.8004" />
+  <C value="0.00564316" />
+  <D value="-9.176806E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="303.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000017549" />
+  <B value="0.42295" />
+  <C value="561.21" />
+  <D value="-17046" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.010825" />
+  <B value="-30.065" />
+  <C value="-1.1172" />
+  <D value="-0.0023327" />
+  <E value="-0.0000015541" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000026412" />
+  <B value="1.549" />
+  <C value="-2.5891" />
+  <D value="24389" />
+  <Tmin units="K"  value="303.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011552" />
+  <B value="7.0878" />
+  <C value="-2.8382" />
+  <D value="-0.0011232" />
+  <E value="-0.0000052785" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="464.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42229" />
+  <B value="99.1" />
+  <C value="0.65169" />
+  <D value="-0.00091143" />
+  <E value="3.6426E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.56045" />
+  <B value="-1050" />
+  <C value="-6.3" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.064" />
+  <B value="2629.6" />
+  <C value="-27.471" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="413.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.34306" />
+  <B value="-0.057696" />
+  <C value="0.000095563" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="303.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2951" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.870098E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.9223" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2944" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01383" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0391" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.638723" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2824" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.110474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5953" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00367" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.37379" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2198" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1104" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-67-1" />
+<Smiles name="SMILES"  value="C=CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="210" />
+<CompoundID name="Name"  value="Cis-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="475" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3021" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="310.07" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="121.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="121.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000554" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.33E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.008E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05451" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.63E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.37E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="346300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7112000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84852" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.123E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.871" />
+  <B value="-0.013598" />
+  <Tmin units="K"  value="48.7" />
+  <Tmax units="K"  value="121.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90921" />
+  <B value="0.26313" />
+  <C value="475" />
+  <D value="0.30422" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.54937" />
+  <B value="-5782.462" />
+  <C value="-10.18969" />
+  <D value="0.00001126" />
+  <E value="2" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.808893E+07" />
+  <B value="0.541071" />
+  <C value="-0.876512" />
+  <D value="1.300916" />
+  <E value="-0.612383" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13230" />
+  <B value="1127" />
+  <C value="1.3684" />
+  <D value="-0.072985" />
+  <E value="0.00034019" />
+  <Tmin units="K"  value="13.51" />
+  <Tmax units="K"  value="121.78" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="132080" />
+  <B value="-10569" />
+  <C value="112.64" />
+  <D value="-0.34846" />
+  <E value="0.00041161" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68358" />
+  <B value="-741.07" />
+  <C value="12.923" />
+  <D value="-0.00013529" />
+  <E value="3.1324E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17521" />
+  <B value="-182.66" />
+  <C value="-16.753" />
+  <D value="-994" />
+  <E value="1468.3" />
+  <Tmin units="K"  value="238" />
+  <Tmax units="K"  value="1904" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.01" />
+  <B value="644.41" />
+  <C value="-0.11124" />
+  <D value="1.3682E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0321E-08" />
+  <B value="0.83123" />
+  <C value="33.115" />
+  <D value="-394.35" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.06994" />
+  <B value="-6.3331" />
+  <C value="-1.1883" />
+  <D value="-0.0013351" />
+  <E value="-7.8623E-07" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017973" />
+  <B value="0.95148" />
+  <C value="124.65" />
+  <D value="170420" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010506" />
+  <B value="20.208" />
+  <C value="-3.0727" />
+  <D value="0.0001059" />
+  <E value="-0.0000070674" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24120" />
+  <B value="264.28" />
+  <C value="0.15315" />
+  <D value="-0.00032867" />
+  <E value="1.3378E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.878" />
+  <B value="2544.1" />
+  <C value="-38.058" />
+  <Tmin units="K"  value="285.51" />
+  <Tmax units="K"  value="419.22" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.36839" />
+  <B value="-0.050845" />
+  <C value="0.000079655" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28749" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.946116E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.5959" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02929" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.039" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.659575" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24255" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10792" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5933" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.103" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00233" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.13212" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.206" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1078" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="627-20-3" />
+<Smiles name="SMILES"  value="C/C=C\CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="211" />
+<CompoundID name="Name"  value="Trans-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="474.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.293" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="309.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.89" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00574" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.1329" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1091" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248372" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.28E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05451" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.11E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.98E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8351700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84315" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.119E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.26" />
+  <B value="-0.011808" />
+  <Tmin units="K"  value="53.16" />
+  <Tmax units="K"  value="132.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.9122" />
+  <B value="0.26869" />
+  <C value="474.2" />
+  <D value="0.28253" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.717" />
+  <B value="-5422.6" />
+  <C value="-8.6403" />
+  <D value="0.0000092035" />
+  <E value="2" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3712E+07" />
+  <B value="0.84137" />
+  <C value="-0.81266" />
+  <D value="0.47134" />
+  <E value="-0.094225" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12202" />
+  <B value="1040.4" />
+  <C value="1.6545" />
+  <D value="-0.062663" />
+  <E value="0.00025784" />
+  <Tmin units="K"  value="12.77" />
+  <Tmax units="K"  value="132.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117170" />
+  <B value="204.39" />
+  <C value="5.1039" />
+  <D value="0.022516" />
+  <E value="-0.00002152" />
+  <Tmin units="K"  value="132.93" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79715" />
+  <B value="-780.23" />
+  <C value="12.979" />
+  <D value="-0.00024552" />
+  <E value="0.0000000696" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17394" />
+  <B value="-181.62" />
+  <C value="-16.872" />
+  <D value="-647.46" />
+  <E value="513.41" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="1900" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.52" />
+  <B value="657.15" />
+  <C value="-0.02693" />
+  <D value="1.6882E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2614E-07" />
+  <B value="0.75299" />
+  <C value="74.21" />
+  <D value="1685.7" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074338" />
+  <B value="-10.004" />
+  <C value="-1.1218" />
+  <D value="-0.0016085" />
+  <E value="-2.2796E-07" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000026669" />
+  <B value="1.1894" />
+  <C value="-123.11" />
+  <D value="111540" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093368" />
+  <B value="32.021" />
+  <C value="-3.2884" />
+  <D value="0.0008863" />
+  <E value="-0.0000084191" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2246.808" />
+  <B value="415.4754" />
+  <C value="-0.211798" />
+  <D value="0.0000400409" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.965" />
+  <B value="2590.5" />
+  <C value="-35.057" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="420.31" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.78372" />
+  <B value="-0.047294" />
+  <C value="0.000072515" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.911778E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="285.3139" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268765" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02405" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0392" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.652263" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23984" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5933" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.103" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001574" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.09675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.209" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="646-04-8" />
+<Smiles name="SMILES"  value="C/C=C/CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1053" />
+<CompoundID name="Name"  value="3-pentanone" />
+<StructureFormula name="Structure"  value="CH3CH2COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.336" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.14" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="73.4224" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10641" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.583E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.579E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.344E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.159E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.069" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8804E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.822" />
+  <B value="-0.0061115" />
+  <Tmin units="K"  value="93.67" />
+  <Tmax units="K"  value="234.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68664" />
+  <B value="0.23603" />
+  <C value="561.5" />
+  <D value="0.27471" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="543.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.885" />
+  <B value="-6044.5" />
+  <C value="-5.3259" />
+  <D value="0.0000023057" />
+  <E value="2" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.083729E+07" />
+  <B value="0.764461" />
+  <C value="-0.828447" />
+  <D value="-0.00277131" />
+  <E value="0.530942" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6392" />
+  <B value="777.74" />
+  <C value="17.353" />
+  <D value="-0.29853" />
+  <E value="0.001372" />
+  <Tmin units="K"  value="11.16" />
+  <Tmax units="K"  value="119.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="169130" />
+  <B value="405.25" />
+  <C value="3.0239" />
+  <D value="0.024087" />
+  <E value="-0.000018434" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93124" />
+  <B value="-637.87" />
+  <C value="12.577" />
+  <D value="0.00022827" />
+  <E value="-1.0612E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13293" />
+  <B value="-126.32" />
+  <C value="-67.641" />
+  <D value="17238" />
+  <E value="-66712" />
+  <Tmin units="K"  value="280.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-1.367" />
+  <B value="550.49" />
+  <C value="-1.4469" />
+  <D value="4.9148E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002611" />
+  <B value="0.65778" />
+  <C value="216.39" />
+  <D value="-3537.8" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0080662" />
+  <B value="16.294" />
+  <C value="-1.6509" />
+  <D value="-0.0010676" />
+  <E value="-9.5001E-07" />
+  <Tmin units="K"  value="187.86" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="22.162" />
+  <B value="1.0028" />
+  <C value="1.8597E+08" />
+  <D value="9.2842E+08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083353" />
+  <B value="223.31" />
+  <C value="-5.0336" />
+  <D value="0.0065645" />
+  <E value="-0.000012203" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="67106" />
+  <B value="113.53" />
+  <C value="0.50885" />
+  <D value="-0.00069318" />
+  <E value="2.7047E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.7804" />
+  <B value="-7700" />
+  <C value="-46.2" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.615" />
+  <B value="3357.7" />
+  <C value="-42.268" />
+  <Tmin units="K"  value="337.37" />
+  <Tmax units="K"  value="492.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.9137" />
+  <B value="-0.027945" />
+  <C value="0.000028415" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3188" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.298875E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.2936" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45383" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0426" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34599" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106401" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18259.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106401" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-22-0" />
+<Smiles name="SMILES"  value="CCC(=O)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1061" />
+<CompoundID name="Name"  value="Methyl isopropyl ketone" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)COCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3620000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.31" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="367.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.295357" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10791" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.216" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.465E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.21E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05949" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.626E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.393E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="369900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9343000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97206" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.877E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.23" />
+  <B value="-0.0077997" />
+  <Tmin units="K"  value="72.06" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.22922" />
+  <B value="0.13849" />
+  <C value="567.7" />
+  <D value="0.18207" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="533.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="57.033" />
+  <B value="-5794.3" />
+  <C value="-5.09" />
+  <D value="0.0000023975" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3282E+07" />
+  <B value="-7.596951" />
+  <C value="21.963" />
+  <D value="-24.77369" />
+  <E value="10.66731" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10888" />
+  <B value="1207.3" />
+  <C value="-2.162" />
+  <D value="-0.01776" />
+  <E value="0.00010358" />
+  <Tmin units="K"  value="11.38" />
+  <Tmax units="K"  value="168.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142840" />
+  <B value="463.87" />
+  <C value="4.1439" />
+  <D value="0.020347" />
+  <E value="-0.000013989" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="440" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65899" />
+  <B value="-628.39" />
+  <C value="12.858" />
+  <D value="0.000023331" />
+  <E value="-5.0246E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15924" />
+  <B value="-129.27" />
+  <C value="-49.269" />
+  <D value="147.14" />
+  <E value="-29532" />
+  <Tmin units="K"  value="276.7" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.042" />
+  <B value="1043.1" />
+  <C value="-0.038423" />
+  <D value="1.1535E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="367.55" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5484E-07" />
+  <B value="0.72865" />
+  <C value="149.15" />
+  <D value="-3826.1" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11038" />
+  <B value="18.412" />
+  <C value="-1.2824" />
+  <D value="-0.000057222" />
+  <E value="-0.000001541" />
+  <Tmin units="K"  value="165.9" />
+  <Tmax units="K"  value="435.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-6058400" />
+  <B value="-0.090573" />
+  <C value="3.176E+09" />
+  <D value="-2.84E+13" />
+  <Tmin units="K"  value="367.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.034236" />
+  <B value="-71.227" />
+  <C value="-1.6594" />
+  <D value="-0.0035924" />
+  <E value="0.00000136" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-2912.064" />
+  <B value="498.7328" />
+  <C value="-0.293257" />
+  <D value="0.0000666093" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.404" />
+  <B value="3959.7" />
+  <C value="-3.419" />
+  <Tmin units="K"  value="346.95" />
+  <Tmax units="K"  value="494.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0599" />
+  <B value="-0.046952" />
+  <C value="0.00005801" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="367.55" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3156" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.070876E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="211.2074" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0421" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.814223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3323" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106975" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.412" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.350039" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18253.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106975" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-80-4" />
+<Smiles name="SMILES"  value="CC(=O)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1314" />
+<CompoundID name="Name"  value="N-propyl acetate" />
+<StructureFormula name="Structure"  value="CH3COO(CH2)2CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0171129" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.133" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11572" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.389" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.969E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.063" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.14E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.648E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.204E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.12E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1143" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.672E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.418" />
+  <B value="-0.0076611" />
+  <Tmin units="K"  value="71.26" />
+  <Tmax units="K"  value="178.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57751" />
+  <B value="0.2255" />
+  <C value="549.4" />
+  <D value="0.25884" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.6613" />
+  <B value="-8095.022" />
+  <C value="-12.62161" />
+  <D value="8.999471E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.73" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.047503E+07" />
+  <B value="1.798019" />
+  <C value="-2.259874" />
+  <D value="1.293466" />
+  <E value="-0.333711" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156890" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124410" />
+  <B value="36.932" />
+  <C value="8.3883" />
+  <D value="0.012662" />
+  <E value="-0.000012028" />
+  <Tmin units="K"  value="192.29" />
+  <Tmax units="K"  value="404.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108820" />
+  <B value="-937.38" />
+  <C value="13.511" />
+  <D value="-0.00062962" />
+  <E value="1.4249E-07" />
+  <Tmin units="K"  value="246.45" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18145" />
+  <B value="-204.54" />
+  <C value="-46.716" />
+  <D value="-11288" />
+  <E value="16065" />
+  <Tmin units="K"  value="274.7" />
+  <Tmax units="K"  value="1922.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.453" />
+  <B value="-157.9" />
+  <C value="-3.9304" />
+  <D value="-3.2102E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9633E-07" />
+  <B value="0.69295" />
+  <C value="104.27" />
+  <D value="10438" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.045513" />
+  <B value="-31.328" />
+  <C value="-1.5572" />
+  <D value="-0.00066538" />
+  <E value="-0.0000053334" />
+  <Tmin units="K"  value="164.82" />
+  <Tmax units="K"  value="434.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1128.5" />
+  <B value="1.014" />
+  <C value="1.1605E+10" />
+  <D value="-1.2869E+11" />
+  <Tmin units="K"  value="374.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012713" />
+  <B value="36.014" />
+  <C value="-3.0794" />
+  <D value="0.00042548" />
+  <E value="-0.0000053616" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="530.17" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10223" />
+  <B value="486.13" />
+  <C value="-0.25647" />
+  <D value="0.000046499" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.185871" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.084" />
+  <B value="2976" />
+  <C value="-63.384" />
+  <Tmin units="K"  value="331.31" />
+  <Tmax units="K"  value="493.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.1165" />
+  <B value="-0.017929" />
+  <C value="0.000010882" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34279" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.841805E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.0983" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="114.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46308" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0454" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.892752" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.391" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115712" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.153" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.656" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.147" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18004.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115712" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-60-4" />
+<Smiles name="SMILES"  value="CC(=O)OCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="8" />
+<CompoundID name="Name"  value="Isopentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="460.39" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3381000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3083" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="300.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="113.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="113.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00012144" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11646" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.229" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.324E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.34E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05802" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.537E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.405E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5150000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88771" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.23954E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.656" />
+  <B value="-0.013374" />
+  <Tmin units="K"  value="45.3" />
+  <Tmax units="K"  value="113.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73194" />
+  <B value="0.24835" />
+  <C value="460.99" />
+  <D value="0.25733" />
+  <Tmin units="K"  value="113.15" />
+  <Tmax units="K"  value="460.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.04288" />
+  <B value="-4967.235" />
+  <C value="-7.674379" />
+  <D value="8.659929E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="460.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.14248E+07" />
+  <B value="0.799342" />
+  <C value="-0.581969" />
+  <D value="0.0834724" />
+  <E value="0.117826" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="460.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9226.8" />
+  <B value="944.22" />
+  <C value="12.156" />
+  <D value="-0.25376" />
+  <E value="0.0012526" />
+  <Tmin units="K"  value="13" />
+  <Tmax units="K"  value="113.36" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112460" />
+  <B value="-54.259" />
+  <C value="8.8747" />
+  <D value="0.0083911" />
+  <E value="-0.0000034773" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="59843" />
+  <B value="-493.27" />
+  <C value="12.516" />
+  <D value="0.00046099" />
+  <E value="-1.5305E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16392" />
+  <B value="-173.55" />
+  <C value="-19.026" />
+  <D value="1021.5" />
+  <E value="-2755.1" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="1841.56" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.596" />
+  <B value="889.14" />
+  <C value="0.20472" />
+  <D value="4.0592E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="310" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6346E-08" />
+  <B value="0.82828" />
+  <C value="-68.082" />
+  <D value="25303" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061061" />
+  <B value="89.857" />
+  <C value="-3.522" />
+  <D value="0.0075154" />
+  <E value="-0.000023032" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="368.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00090019" />
+  <B value="0.7738" />
+  <C value="456.82" />
+  <D value="231390" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014311" />
+  <B value="8.316" />
+  <C value="-2.8974" />
+  <D value="-0.00090151" />
+  <E value="-0.0000046238" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="442.13" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="16288" />
+  <B value="317.54" />
+  <C value="0.20237" />
+  <D value="-0.00043027" />
+  <E value="1.8001E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.366" />
+  <B value="-925" />
+  <C value="-5.55" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.89" />
+  <B value="2541.9" />
+  <C value="-29.563" />
+  <Tmin units="K"  value="276.92" />
+  <Tmax units="K"  value="410" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.49033" />
+  <B value="-0.05312" />
+  <C value="0.00007775" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="310" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30959" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.012938E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="277.0048" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2716" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50468" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0408" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.623442" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23995" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117098" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.82" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.31" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005345" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.94255" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2104" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1174" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-78-4" />
+<Smiles name="SMILES"  value="CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="7" />
+<CompoundID name="Name"  value="N-pentane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="469.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3370000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="309.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="143.42" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="143.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0686418" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11522" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.251" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.337E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05803" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.29E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.4676E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8813000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="349450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8401500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92983" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.24494E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.533" />
+  <B value="-0.006061" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="143.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77386" />
+  <B value="0.25574" />
+  <C value="469.7" />
+  <D value="0.26319" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.14242" />
+  <B value="-5265.589" />
+  <C value="-7.720709" />
+  <D value="7.151866E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.0854E+07" />
+  <B value="0.25483" />
+  <C value="0.96045" />
+  <D value="-1.5349" />
+  <E value="0.72504" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10054" />
+  <B value="1010.4" />
+  <C value="4.2663" />
+  <D value="-0.10165" />
+  <E value="0.00042186" />
+  <Tmin units="K"  value="12.29" />
+  <Tmax units="K"  value="134.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122980" />
+  <B value="401.5" />
+  <C value="3.9651" />
+  <D value="0.024056" />
+  <E value="-0.000020161" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="390" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81062" />
+  <B value="-706.86" />
+  <C value="12.962" />
+  <D value="-0.000049298" />
+  <E value="2.8357E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17575" />
+  <B value="-176.68" />
+  <C value="-20.64" />
+  <D value="923.52" />
+  <E value="-3199.2" />
+  <Tmin units="K"  value="217" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-28.93847" />
+  <B value="1176.355" />
+  <C value="3.050544" />
+  <D value="-9.721368E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="137.15" />
+  <Tmax units="K"  value="465.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9173E-08" />
+  <B value="0.85109" />
+  <C value="8.4138" />
+  <D value="3723.2" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.023649" />
+  <B value="-75.089" />
+  <C value="-0.64229" />
+  <D value="-0.005078" />
+  <E value="-2.7196E-07" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="445" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-603.2" />
+  <B value="0.74698" />
+  <C value="-8.1823E+08" />
+  <D value="-8.7865E+09" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013012" />
+  <B value="17.72" />
+  <C value="-3.0334" />
+  <D value="-0.00028732" />
+  <E value="-0.0000056151" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="452.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="62808" />
+  <B value="-3.0597" />
+  <C value="0.98493" />
+  <D value="-0.0012421" />
+  <E value="4.7833E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.327715" />
+  <B value="-900" />
+  <C value="-5.4" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.95" />
+  <B value="2607.3" />
+  <C value="-32.561" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="421.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2534" />
+  <B value="-0.029652" />
+  <C value="0.000029293" />
+  <Tmin units="K"  value="137.15" />
+  <Tmax units="K"  value="465.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31132" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.13861E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.9286" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2685" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.57909" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.041" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.629729" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2522" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.116126" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8254" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.316" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.316" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000636" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1375" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2387" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1161" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-66-0" />
+<Smiles name="SMILES"  value="CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="9" />
+<CompoundID name="Name"  value="Neopentane" />
+<StructureFormula name="Structure"  value="C(CH3)4" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="433.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3199000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3032" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="282.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="35745.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12216" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.197" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.161E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05801" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6807E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.714E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="305890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3146000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78325" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.25039E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.325" />
+  <B value="-0.0069832" />
+  <Tmin units="K"  value="218.8" />
+  <Tmax units="K"  value="248.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90246" />
+  <B value="0.2775" />
+  <C value="433.8" />
+  <D value="0.29085" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="433.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.887" />
+  <B value="-5169" />
+  <C value="-10.119" />
+  <D value="0.000013061" />
+  <E value="2" />
+  <Tmin units="K"  value="246.05" />
+  <Tmax units="K"  value="433.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3957E+07" />
+  <B value="0.38208" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="433.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-30040" />
+  <B value="2752.6" />
+  <C value="-37.153" />
+  <D value="0.25213" />
+  <E value="-0.00053456" />
+  <Tmin units="K"  value="20.16" />
+  <Tmax units="K"  value="139.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116590" />
+  <B value="146.32" />
+  <C value="1.9197" />
+  <D value="0.044936" />
+  <E value="-0.000054657" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="288.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31525" />
+  <B value="-309.56" />
+  <C value="12.21" />
+  <D value="0.00085791" />
+  <E value="-2.6395E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17011" />
+  <B value="-163.18" />
+  <C value="-15.199" />
+  <D value="1090.5" />
+  <E value="-2506.9" />
+  <Tmin units="K"  value="216.87" />
+  <Tmax units="K"  value="1951.87" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-36.861" />
+  <B value="2459.5" />
+  <C value="3.4416" />
+  <D value="0.0000070474" />
+  <E value="2" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="304" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1019E-07" />
+  <B value="0.5294" />
+  <C value="468.47" />
+  <D value="-22580" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.027667" />
+  <B value="-243.53" />
+  <C value="0.83395" />
+  <D value="-0.010754" />
+  <E value="0.0000058849" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="282.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000044729" />
+  <B value="1.4644" />
+  <C value="-142.95" />
+  <D value="66180" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0033983" />
+  <B value="725.98" />
+  <C value="-11.296" />
+  <D value="0.029733" />
+  <E value="-0.000047837" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="424.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13269.77" />
+  <B value="532.8823" />
+  <C value="-0.298739" />
+  <D value="0.0000708818" />
+  <E value="-1.227225E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.305" />
+  <B value="-885" />
+  <C value="-5.31" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.717" />
+  <B value="2353.3" />
+  <C value="-26.585" />
+  <Tmin units="K"  value="262.75" />
+  <Tmax units="K"  value="390" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.7101" />
+  <B value="-0.069319" />
+  <C value="0.000096523" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="304" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31257" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.059712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="250.7615" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2762" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.09145" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0402" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.595593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1975" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119551" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8239" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000695" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.58084" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.195" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1233" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="463-82-1" />
+<Smiles name="SMILES"  value="CC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1592" />
+<CompoundID name="Name"  value="1,2,4-trichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H3)Cl3" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="725" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3720000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.395" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="486.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="290.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="290.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="33.0937" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="181.447" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12525" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.358106" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.832E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.20291E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10098" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1757E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.30523E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380911" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.55647E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65632E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.194" />
+  <B value="-0.0039041" />
+  <Tmin units="K"  value="116.06" />
+  <Tmax units="K"  value="290.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61713" />
+  <B value="0.2524" />
+  <C value="725" />
+  <D value="0.2857" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.20405" />
+  <B value="-7460.647" />
+  <C value="-3.164866" />
+  <D value="-3.316432E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.897E+07" />
+  <B value="0.4026" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6586.2" />
+  <B value="796.22" />
+  <C value="-1.4691" />
+  <D value="0.0035279" />
+  <E value="-0.0000037266" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="290.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145370" />
+  <B value="234.69" />
+  <C value="6.2789" />
+  <D value="0.017012" />
+  <E value="-0.000015675" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="486.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63130" />
+  <B value="-426.63" />
+  <C value="12.569" />
+  <D value="-0.000095696" />
+  <E value="1.4713E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27285" />
+  <B value="-397.07" />
+  <C value="-111.19" />
+  <D value="28956" />
+  <E value="-249060" />
+  <Tmin units="K"  value="362.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-241" />
+  <B value="9893.2" />
+  <C value="36.115" />
+  <D value="-0.000047458" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="580" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.2097E-08" />
+  <B value="0.80621" />
+  <C value="99.511" />
+  <D value="1477.5" />
+  <Tmin units="K"  value="486.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.070105" />
+  <B value="-290.72" />
+  <C value="-0.20366" />
+  <D value="-0.0074415" />
+  <E value="0.0000024779" />
+  <Tmin units="K"  value="285.15" />
+  <Tmax units="K"  value="486.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-743.07" />
+  <B value="0.74159" />
+  <C value="-2.1746E+09" />
+  <D value="-6.4502E+10" />
+  <Tmin units="K"  value="486.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0099086" />
+  <B value="212.19" />
+  <C value="-4.1394" />
+  <D value="0.0037352" />
+  <E value="-0.0000066653" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13485" />
+  <B value="490.78" />
+  <C value="-0.36646" />
+  <D value="0.000098813" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.92" />
+  <B value="4632.7" />
+  <C value="-40.49" />
+  <Tmin units="K"  value="435.15" />
+  <Tmax units="K"  value="633.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8536" />
+  <B value="-0.0055643" />
+  <C value="-0.0000085016" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="580" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563146" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.440056E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.0221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259136" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.03" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.4595" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358106" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12525" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0625" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.732" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358106" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20618.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12525" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="54"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="40"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="42"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="54"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="53"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="120-82-1" />
+<Smiles name="SMILES"  value="c1(Cl)c(Cl)cc(Cl)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1573" />
+<CompoundID name="Name"  value="M-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="683.95" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="248.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="248.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.40787" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.114533" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.27898" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.389E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19570" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06732" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.57E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.79E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343530" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.259E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89625" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.825E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.566" />
+  <B value="-0.0051312" />
+  <Tmin units="K"  value="99.36" />
+  <Tmax units="K"  value="248.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74132" />
+  <B value="0.26094" />
+  <C value="683.95" />
+  <D value="0.31392" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.37" />
+  <B value="-9087" />
+  <C value="-11.404" />
+  <D value="0.0000055122" />
+  <E value="2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2076E+07" />
+  <B value="0.15554" />
+  <C value="-0.20298" />
+  <D value="0.94291" />
+  <E value="-0.55524" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35.885" />
+  <B value="2025.5" />
+  <C value="-13.455" />
+  <D value="0.039723" />
+  <E value="-0.000043973" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="230.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89111" />
+  <B value="785.31" />
+  <C value="3.6098" />
+  <D value="0.022491" />
+  <E value="-0.00001896" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="446.23" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56066" />
+  <B value="-490.93" />
+  <C value="12.649" />
+  <D value="-0.00012726" />
+  <E value="2.3703E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24322" />
+  <B value="-355.19" />
+  <C value="-67.685" />
+  <D value="-40405" />
+  <E value="47635" />
+  <Tmin units="K"  value="341.97" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-114.79" />
+  <B value="4907.5" />
+  <C value="16.374" />
+  <D value="-0.000020623" />
+  <E value="2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="547.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3524E-07" />
+  <B value="0.71383" />
+  <C value="257.29" />
+  <D value="1880.2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.042347" />
+  <B value="-224.09" />
+  <C value="-0.2096" />
+  <D value="-0.006185" />
+  <E value="0.0000024486" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="446.23" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1552.3" />
+  <B value="0.68852" />
+  <C value="-2.6293E+09" />
+  <D value="-1.7751E+11" />
+  <Tmin units="K"  value="446.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018573" />
+  <B value="119.26" />
+  <C value="-3.5049" />
+  <D value="0.0018889" />
+  <E value="-0.0000041728" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13602.18" />
+  <B value="548.9826" />
+  <C value="-0.450282" />
+  <D value="0.00014267" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.829242" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.137" />
+  <B value="3719.2" />
+  <C value="-59.169" />
+  <Tmin units="K"  value="413.64" />
+  <Tmax units="K"  value="615.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2726" />
+  <B value="-0.019593" />
+  <C value="0.00001463" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="547.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36165" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.914152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.1505" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0514" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2946" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.215834" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.114641" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.215834" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19575.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.114641" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="541-73-1" />
+<Smiles name="SMILES"  value="c1c([Cl])cccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1572" />
+<CompoundID name="Name"  value="O-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="705" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="453.57" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.48939" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112969" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.219189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.186E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.02E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.29E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="341850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.266E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66193" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.826E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.3487" />
+  <B value="0.023944" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="256.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74261" />
+  <B value="0.26108" />
+  <C value="705" />
+  <D value="0.30655" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="75.75983" />
+  <B value="-8226.762" />
+  <C value="-7.552754" />
+  <D value="6.191298E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.774E+07" />
+  <B value="2.8227" />
+  <C value="-6.8433" />
+  <D value="7.6547" />
+  <E value="-3.1275" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34.618" />
+  <B value="1984.3" />
+  <C value="-12.98" />
+  <D value="0.037736" />
+  <E value="-0.000041136" />
+  <Tmin units="K"  value="224.65" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127840" />
+  <B value="-59.156" />
+  <C value="8.3728" />
+  <D value="0.0093569" />
+  <E value="-0.0000051714" />
+  <Tmin units="K"  value="266.02" />
+  <Tmax units="K"  value="528.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55560" />
+  <B value="-490.51" />
+  <C value="12.648" />
+  <D value="-0.00012186" />
+  <E value="2.1792E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23253" />
+  <B value="-364.15" />
+  <C value="-75.666" />
+  <D value="-71505" />
+  <E value="114590" />
+  <Tmin units="K"  value="352.5" />
+  <Tmax units="K"  value="1937.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.699" />
+  <B value="2377" />
+  <C value="4.0848" />
+  <D value="-0.0000020768" />
+  <E value="2" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="453.57" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6041E-07" />
+  <B value="0.76289" />
+  <C value="205.1" />
+  <D value="-39.728" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06919" />
+  <B value="-379.09" />
+  <C value="0.89948" />
+  <D value="-0.0099037" />
+  <E value="0.0000041677" />
+  <Tmin units="K"  value="262.87" />
+  <Tmax units="K"  value="351.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1200.2" />
+  <B value="0.7235" />
+  <C value="-2.8422E+09" />
+  <D value="-8.8684E+10" />
+  <Tmin units="K"  value="453.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003373" />
+  <B value="482.91" />
+  <C value="-6.8665" />
+  <D value="0.011374" />
+  <E value="-0.00001512" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14297.98" />
+  <B value="550.447" />
+  <C value="-0.451286" />
+  <D value="0.000142863" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.104208" />
+  <B value="-3750" />
+  <C value="-22.5" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.671" />
+  <B value="3414.3" />
+  <C value="-79.992" />
+  <Tmin units="K"  value="428.95" />
+  <Tmax units="K"  value="634.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0621" />
+  <B value="-0.037459" />
+  <C value="0.000039274" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="453.57" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.361537" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.152857E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.8836" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271326" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1558" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0495" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.3118" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.214215" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.11318" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.5483" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.214215" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20271.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.11318" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-50-1" />
+<Smiles name="SMILES"  value="c1([Cl])ccccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1574" />
+<CompoundID name="Name"  value="P-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="684.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="447.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="326.14" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="326.14" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1225.03" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.117406" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.284638" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.149E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06732" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.25E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.67E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.82E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.61751" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.802E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.872" />
+  <B value="-0.0022226" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="326.14" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74861" />
+  <B value="0.26271" />
+  <C value="684.75" />
+  <D value="0.30815" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="684.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="40.63688" />
+  <B value="-6607.72" />
+  <C value="-2.221184" />
+  <D value="-3.90747E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="684.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.112633E+07" />
+  <B value="0.426201" />
+  <C value="-0.0366365" />
+  <D value="0.00811781" />
+  <E value="-0.00754654" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="684.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5903.9" />
+  <B value="798.4" />
+  <C value="-2.8553" />
+  <D value="0.0083402" />
+  <E value="-0.0000080094" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="320" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="155200" />
+  <B value="855.07" />
+  <C value="0.88585" />
+  <D value="0.024843" />
+  <E value="-0.000014582" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="513.56" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55695" />
+  <B value="-489.46" />
+  <C value="12.649" />
+  <D value="-0.00012524" />
+  <E value="2.3115E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23632" />
+  <B value="-343.91" />
+  <C value="-71.253" />
+  <D value="-46.219" />
+  <E value="-58041" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-131.86" />
+  <B value="5312.8" />
+  <C value="19.284" />
+  <D value="-0.000029085" />
+  <E value="2" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="447.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5946E-07" />
+  <B value="0.76369" />
+  <C value="193.94" />
+  <D value="-148.97" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02927" />
+  <B value="-28.287" />
+  <C value="-2.0319" />
+  <D value="0.000077764" />
+  <E value="-0.0000037797" />
+  <Tmin units="K"  value="208.5" />
+  <Tmax units="K"  value="548.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2269.7" />
+  <B value="0.68598" />
+  <C value="-3.774E+09" />
+  <D value="-2.6655E+11" />
+  <Tmin units="K"  value="447.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0075966" />
+  <B value="340.08" />
+  <C value="-5.3586" />
+  <D value="0.0064741" />
+  <E value="-0.0000095368" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="684.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14350.7" />
+  <B value="553.2085" />
+  <C value="-0.455679" />
+  <D value="0.000144745" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.165126" />
+  <B value="-1430" />
+  <C value="-8.58" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.115" />
+  <B value="3752.8" />
+  <C value="-56.114" />
+  <Tmin units="K"  value="420.51" />
+  <Tmax units="K"  value="609.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2213" />
+  <B value="-0.0089482" />
+  <C value="6.2913E-07" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="447.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36165" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.914152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.5109" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265583" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.1786" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0501" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2962" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.234279" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117341" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.8932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.234279" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19187.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.117341" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-46-7" />
+<Smiles name="SMILES"  value="c1cc([Cl])ccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1680" />
+<CompoundID name="Name"  value="Bromobenzene" />
+<StructureFormula name="Structure"  value="(C6H5)Br" />
+<Family name="Family"  value="30" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4519100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.324" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.236" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.43" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.8364" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="157.008" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105567" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.250575" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.466E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06016" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.34E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.05018E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.38532E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="324386" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06274E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95208" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.01917E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8219" />
+  <B value="0.0072956" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="242.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8226" />
+  <B value="0.26632" />
+  <C value="670.15" />
+  <D value="0.2821" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="670.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="146.6319" />
+  <B value="-10375.07" />
+  <C value="-18.74897" />
+  <D value="0.0000147083" />
+  <E value="2" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="670.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.656362E+07" />
+  <B value="0.347537" />
+  <C value="0.135082" />
+  <D value="0.0123621" />
+  <E value="-0.140849" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="647.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23455" />
+  <B value="406.81" />
+  <C value="-1.101" />
+  <D value="0.0059523" />
+  <E value="-0.0000047316" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="239.99" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97487" />
+  <B value="953.8" />
+  <C value="2.1839" />
+  <D value="0.023716" />
+  <E value="-0.000017458" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="495.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65656" />
+  <B value="-767.67" />
+  <C value="13.165" />
+  <D value="-0.00063667" />
+  <E value="1.8215E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20016" />
+  <B value="-288.53" />
+  <C value="-61.836" />
+  <D value="76562" />
+  <E value="-287190" />
+  <Tmin units="K"  value="335.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-54.93" />
+  <B value="2754.4" />
+  <C value="6.973" />
+  <D value="-0.000009784" />
+  <E value="2" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2327E-07" />
+  <B value="0.71456" />
+  <C value="185.02" />
+  <D value="-22.393" />
+  <Tmin units="K"  value="429.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032562" />
+  <B value="-180.04" />
+  <C value="-0.56464" />
+  <D value="-0.0046562" />
+  <E value="1.7973E-07" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025787" />
+  <B value="0.79923" />
+  <C value="269.79" />
+  <D value="163730" />
+  <Tmin units="K"  value="429.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014274" />
+  <B value="52.267" />
+  <C value="-2.9864" />
+  <D value="0.00054996" />
+  <E value="-0.0000038815" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="647.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-28313.55" />
+  <B value="532.5813" />
+  <C value="-0.404723" />
+  <D value="0.000119696" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.349052" />
+  <B value="-2700" />
+  <C value="-16.2" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="3407.3" />
+  <C value="-63.769" />
+  <Tmin units="K"  value="403.15" />
+  <Tmax units="K"  value="602.62" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.83085" />
+  <B value="-0.037331" />
+  <C value="0.000039165" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.321534" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.365214E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="357.2119" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="110.55" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77161" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0459" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.50093" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.250575" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.105567" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9709" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5658" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.250575" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19944.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.105567" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="65"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="44"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="65"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="64"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-86-1" />
+<Smiles name="SMILES"  value="c1(Br)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1571" />
+<CompoundID name="Name"  value="Monochlorobenzene" />
+<StructureFormula name="Structure"  value="C6H5Cl" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="632.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4520000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.308" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.91" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="227.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="227.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8.4456" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.558" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10222" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.251" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.603E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.64E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05784" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.14E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.109E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.829E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="314030" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9556000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81651" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.976E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.164" />
+  <B value="-0.0063358" />
+  <Tmin units="K"  value="91.18" />
+  <Tmax units="K"  value="227.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78287" />
+  <B value="0.25464" />
+  <C value="632.4" />
+  <D value="0.26342" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.41334" />
+  <B value="-6020.539" />
+  <C value="-4.204143" />
+  <D value="1.293848E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9039E+07" />
+  <B value="0.24473" />
+  <C value="-0.048652" />
+  <D value="0.40537" />
+  <E value="-0.25012" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15722" />
+  <B value="756.66" />
+  <C value="1.4275" />
+  <D value="-0.025177" />
+  <E value="0.000067134" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="227.95" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139150" />
+  <B value="-333.42" />
+  <C value="10.906" />
+  <D value="-0.018036" />
+  <E value="0.000054846" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74680" />
+  <B value="-1001.5" />
+  <C value="13.827" />
+  <D value="-0.0014014" />
+  <E value="4.6413E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19009" />
+  <B value="-259.98" />
+  <C value="-46.648" />
+  <D value="20404" />
+  <E value="-83538" />
+  <Tmin units="K"  value="316.18" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.029483" />
+  <B value="556.49" />
+  <C value="-1.5963" />
+  <D value="1.2171E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1217E-07" />
+  <B value="0.79382" />
+  <C value="109.37" />
+  <D value="1134.4" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.083427" />
+  <B value="-157.94" />
+  <C value="-0.89724" />
+  <D value="-0.0049259" />
+  <E value="-0.0000027589" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="404.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0004167" />
+  <B value="0.92033" />
+  <C value="1902.9" />
+  <D value="123750" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095824" />
+  <B value="101.65" />
+  <C value="-3.6063" />
+  <D value="0.0024021" />
+  <E value="-0.0000068537" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="864.71" />
+  <B value="318.34" />
+  <C value="0.15033" />
+  <D value="-0.00047659" />
+  <E value="2.2599E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.352017" />
+  <B value="-2800" />
+  <C value="-16.8" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.211" />
+  <B value="3480.2" />
+  <C value="-45.686" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="568.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.6012" />
+  <B value="-0.01988" />
+  <C value="0.000015158" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.202025E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="346.4098" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="109.65" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.33097" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0434" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.106" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24605" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.79" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.84" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.65335" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2459" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19345.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="54"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="40"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="54"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="53"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-90-7" />
+<Smiles name="SMILES"  value="c1ccccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1691" />
+<CompoundID name="Name"  value="Iodobenzene" />
+<StructureFormula name="Structure"  value="C6H5I" />
+<Family name="Family"  value="31" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="721.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4519100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="461.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="241.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="241.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.17521" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="204.008" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.111976" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.246574" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06548" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.82E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.649E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.902E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9749000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88464" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.05E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3334" />
+  <B value="2.2E-16" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="251.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7521" />
+  <B value="0.26381" />
+  <C value="721.15" />
+  <D value="0.2895" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.186" />
+  <B value="-8185.3" />
+  <C value="-8.2636" />
+  <D value="0.0000035963" />
+  <E value="2" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.148821E+07" />
+  <B value="0.433906" />
+  <C value="-0.0102943" />
+  <D value="-0.0130647" />
+  <E value="-0.0329532" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6576" />
+  <B value="738.1" />
+  <C value="-3.3528" />
+  <D value="0.013129" />
+  <E value="-0.000016135" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="241.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139830" />
+  <B value="578.69" />
+  <C value="1.6453" />
+  <D value="0.031278" />
+  <E value="-0.000034279" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63442" />
+  <B value="-692.72" />
+  <C value="13.003" />
+  <D value="-0.00048297" />
+  <E value="1.3499E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22331" />
+  <B value="-352.07" />
+  <C value="-71.715" />
+  <D value="-10058" />
+  <E value="-45757" />
+  <Tmin units="K"  value="360.57" />
+  <Tmax units="K"  value="1980.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-57.177" />
+  <B value="3157.8" />
+  <C value="7.1529" />
+  <D value="-0.0000070913" />
+  <E value="2" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1908E-07" />
+  <B value="0.74366" />
+  <C value="231.22" />
+  <D value="-43.688" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.077923" />
+  <B value="1284.8" />
+  <C value="-17.082" />
+  <D value="0.050362" />
+  <E value="-0.00006779" />
+  <Tmin units="K"  value="216.35" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026878" />
+  <B value="0.78911" />
+  <C value="373.97" />
+  <D value="187720" />
+  <Tmin units="K"  value="461.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010772" />
+  <B value="65.841" />
+  <C value="-3.1409" />
+  <D value="0.0010009" />
+  <E value="-0.0000042785" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-24781" />
+  <B value="533.2927" />
+  <C value="-0.414111" />
+  <D value="0.000125704" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.488623" />
+  <B value="-2300" />
+  <C value="-13.8" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.202" />
+  <B value="3942.3" />
+  <C value="-54.218" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="645.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2239" />
+  <B value="-0.04181" />
+  <C value="0.000043079" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.351265" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.47817E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="395.0244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.45" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.26194" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0498" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.83757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.246574" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.111976" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2857" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.112" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.61965" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.246574" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20367.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.111976" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="64"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="45"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="64"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="63"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-50-4" />
+<Smiles name="SMILES"  value="c1(I)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1886" />
+<CompoundID name="Name"  value="Nitrobenzene" />
+<StructureFormula name="Structure"  value="C6H5NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="719" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.349" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="483.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="278.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="278.87" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.69814" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="123.109" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.102717" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.449158" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.944E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.41E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06264" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.85E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.75E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.63E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="342100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.16E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4767" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9782E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.1859" />
+  <B value="0.020494" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="282.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69124" />
+  <B value="0.24124" />
+  <C value="719" />
+  <D value="0.28137" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="719" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.2302" />
+  <B value="-10538.91" />
+  <C value="-12.95686" />
+  <D value="5.116363E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="719" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9884E+07" />
+  <B value="-2.0813" />
+  <C value="7.5215" />
+  <D value="-8.8126" />
+  <E value="3.6947" />
+  <Tmin units="K"  value="278.91" />
+  <Tmax units="K"  value="695.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39285" />
+  <B value="201.2" />
+  <C value="0.90502" />
+  <D value="-0.0016563" />
+  <E value="0.0000028762" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="270" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146460" />
+  <B value="1160.6" />
+  <C value="0.44135" />
+  <D value="0.024575" />
+  <E value="-0.000013049" />
+  <Tmin units="K"  value="278.87" />
+  <Tmax units="K"  value="483.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112710" />
+  <B value="-1114.3" />
+  <C value="13.93" />
+  <D value="-0.0013044" />
+  <E value="3.7699E-07" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23371" />
+  <B value="-316.86" />
+  <C value="-98.829" />
+  <D value="-51500" />
+  <E value="36178" />
+  <Tmin units="K"  value="359.5" />
+  <Tmax units="K"  value="1974.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.652" />
+  <B value="4202" />
+  <C value="10.37" />
+  <D value="-0.0000091095" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="480.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1361E-07" />
+  <B value="0.80626" />
+  <C value="193.03" />
+  <D value="-46.762" />
+  <Tmin units="K"  value="278.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11293" />
+  <B value="-401.92" />
+  <C value="1.2826" />
+  <D value="-0.013207" />
+  <E value="0.0000075932" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014373" />
+  <B value="0.9615" />
+  <C value="718" />
+  <D value="-0.0027852" />
+  <Tmin units="K"  value="483.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018708" />
+  <B value="98.592" />
+  <C value="-3.1839" />
+  <D value="0.0013401" />
+  <E value="-0.0000036822" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="719" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16636" />
+  <B value="456.07" />
+  <C value="-0.27615" />
+  <D value="0.00006178" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.224487" />
+  <B value="-8439.716" />
+  <C value="-90.14595" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="719" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.399" />
+  <B value="4170.3" />
+  <C value="-61.504" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="626.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.9368" />
+  <B value="-0.038924" />
+  <C value="0.000038297" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="480.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335341" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.708113E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="352.6966" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251146" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.41" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.7519" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.20656" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.447966" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.102717" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.13" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.14" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.5743" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447966" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22612.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.102717" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-95-3" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="501" />
+<CompoundID name="Name"  value="Benzene" />
+<StructureFormula name="Structure"  value="-CHCHCHCHCHCH-" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4895000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.256" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="278.68" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="278.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4764.22" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.114" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08941" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.209" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.004E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0484" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.288E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.296E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="269300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9866000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8356" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.136E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.059" />
+  <B value="-0.00034838" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="282.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99938" />
+  <B value="0.26348" />
+  <C value="562.05" />
+  <D value="0.27856" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.368" />
+  <B value="-6712.9" />
+  <C value="-10.022" />
+  <D value="0.000007694" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="562.16" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.881E+07" />
+  <B value="0.61066" />
+  <C value="-0.25882" />
+  <D value="0.032238" />
+  <E value="0.022475" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-124.61" />
+  <B value="909.02" />
+  <C value="-6.049" />
+  <D value="0.022885" />
+  <E value="-0.000024638" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="278.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111460" />
+  <B value="-1854.3" />
+  <C value="22.399" />
+  <D value="-0.028936" />
+  <E value="0.000028991" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34010.24" />
+  <B value="-588.0978" />
+  <C value="12.81777" />
+  <D value="-0.000197306" />
+  <E value="5.142899E-08" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17507" />
+  <B value="-220.13" />
+  <C value="-18.085" />
+  <D value="-7404.6" />
+  <E value="16690" />
+  <Tmin units="K"  value="281.02" />
+  <Tmax units="K"  value="1967" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.61" />
+  <B value="1576.5" />
+  <C value="2.1698" />
+  <D value="-0.0000051366" />
+  <E value="2" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="545" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1366E-08" />
+  <B value="0.9675" />
+  <C value="8.0285" />
+  <D value="-35.629" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.049539" />
+  <B value="-177.97" />
+  <C value="0.19475" />
+  <D value="-0.0073805" />
+  <E value="0.0000027938" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000049549" />
+  <B value="1.4519" />
+  <C value="154.14" />
+  <D value="26202" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02575" />
+  <B value="-212.19" />
+  <C value="-0.62089" />
+  <D value="-0.0059738" />
+  <E value="0.0000021771" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29525" />
+  <B value="-51.417" />
+  <C value="1.1944" />
+  <D value="-0.0016468" />
+  <E value="6.8461E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.717467" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.075" />
+  <B value="2977.3" />
+  <C value="-41.505" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="505.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.719" />
+  <B value="-0.019734" />
+  <C value="0.000013263" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="545" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25639" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.753029E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.6073" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2696" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="90.95999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.375" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0367" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.882619" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21367" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08941" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1878" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.4" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000318" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.9715" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.213" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18736.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0894" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-43-2" />
+<Smiles name="SMILES"  value="c1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1181" />
+<CompoundID name="Name"  value="Phenol" />
+<StructureFormula name="Structure"  value="(C6H5)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="694.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="314.06" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="314.06" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="187.979" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="94.113" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08787" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.442" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.415E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0538" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.6399E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.2637E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="314810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.151E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.524" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.921E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.394" />
+  <B value="0.0020984" />
+  <Tmin units="K"  value="261.15" />
+  <Tmax units="K"  value="314.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4937" />
+  <B value="0.32883" />
+  <C value="694.25" />
+  <D value="0.34018" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="688.71" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="300.97" />
+  <B value="-20269" />
+  <C value="-40.743" />
+  <D value="0.000021631" />
+  <E value="2" />
+  <Tmin units="K"  value="310.45" />
+  <Tmax units="K"  value="694.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.270282E+07" />
+  <B value="-0.265673" />
+  <C value="2.248545" />
+  <D value="-2.018709" />
+  <E value="0.353169" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="674.24" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2513.5" />
+  <B value="793.73" />
+  <C value="-4.1506" />
+  <D value="0.014189" />
+  <E value="-0.000014807" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="314.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86710" />
+  <B value="-628.11" />
+  <C value="15.735" />
+  <D value="-0.0091743" />
+  <E value="0.0000081827" />
+  <Tmin units="K"  value="314.05" />
+  <Tmax units="K"  value="655.37" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39758" />
+  <B value="-470.56" />
+  <C value="12.627" />
+  <D value="0.000068347" />
+  <E value="-4.9708E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22714" />
+  <B value="-180.33" />
+  <C value="-95.063" />
+  <D value="-17328" />
+  <E value="21635" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-203.001" />
+  <B value="10884.21" />
+  <C value="28.73615" />
+  <D value="-0.0000224564" />
+  <E value="2" />
+  <Tmin units="K"  value="291.45" />
+  <Tmax units="K"  value="555.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0771E-07" />
+  <B value="0.79384" />
+  <C value="145.89" />
+  <D value="-11364" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14109" />
+  <B value="-966.5" />
+  <C value="10.659" />
+  <D value="-0.049095" />
+  <E value="0.000038703" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="454.99" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.03495" />
+  <B value="0.27845" />
+  <C value="1585.2" />
+  <D value="862070" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.047876" />
+  <B value="-16.307" />
+  <C value="-2.0376" />
+  <D value="-0.0009046" />
+  <E value="-0.0000007358" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="674.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21468" />
+  <B value="145.51" />
+  <C value="0.73949" />
+  <D value="-0.0012002" />
+  <E value="5.2523E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="11.2" />
+  <B value="-1000" />
+  <C value="-50" />
+  <Tmin units="K"  value="313" />
+  <Tmax units="K"  value="694" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.465" />
+  <B value="3610.5" />
+  <C value="-91.898" />
+  <Tmin units="K"  value="417" />
+  <Tmax units="K"  value="620" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.57041" />
+  <B value="-0.0078308" />
+  <C value="-0.000023564" />
+  <Tmin units="K"  value="291.45" />
+  <Tmax units="K"  value="555.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2809" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.234419E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="278.3631" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.06999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.46962" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.04" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.05593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42969" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08314" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5517" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.68" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1.78" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.50049" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.442" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24632.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0889403" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="18"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="18"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="16"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="18"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="17"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-95-2" />
+<Smiles name="SMILES"  value="c1ccccc1(O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1792" />
+<CompoundID name="Name"  value="Aniline" />
+<StructureFormula name="Structure"  value="C6H5NH2" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="699" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2739" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="457.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.13" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.13" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.13219" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="93.128" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09152" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.38" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.436E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05638" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.04E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.668E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="319800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.054E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.23512" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.239E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.175" />
+  <B value="-0.0058627" />
+  <Tmin units="K"  value="106.85" />
+  <Tmax units="K"  value="267.13" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0034" />
+  <B value="0.27828" />
+  <C value="699.16" />
+  <D value="0.26553" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="699.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.415" />
+  <B value="-7256.776" />
+  <C value="-3.968851" />
+  <D value="1.89237E-06" />
+  <E value="1.941839" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.518054E+07" />
+  <B value="-0.829815" />
+  <C value="5.221579" />
+  <D value="-7.587726" />
+  <E value="3.672676" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3106" />
+  <B value="718.22" />
+  <C value="-3.6674" />
+  <D value="0.016118" />
+  <E value="-0.000021313" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="267.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113560" />
+  <B value="-229.45" />
+  <C value="12.348" />
+  <D value="-0.001777" />
+  <E value="0.0000025731" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="457.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53776" />
+  <B value="-561.43" />
+  <C value="12.878" />
+  <D value="-0.00018357" />
+  <E value="4.6595E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043471" />
+  <B value="-226.46" />
+  <C value="-55.939" />
+  <D value="-9629.2" />
+  <E value="9349.5" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-411.9909" />
+  <B value="17880.72" />
+  <C value="61.83069" />
+  <D value="-0.0000659764" />
+  <E value="2" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="559.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8398E-07" />
+  <B value="0.71832" />
+  <C value="209.33" />
+  <D value="-5579.1" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065783" />
+  <B value="-186.09" />
+  <C value="-0.85045" />
+  <D value="-0.0016475" />
+  <E value="-0.0000028261" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025341" />
+  <B value="0.90822" />
+  <C value="897.01" />
+  <D value="-19862" />
+  <Tmin units="K"  value="457.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.05644" />
+  <B value="-22.461" />
+  <C value="-1.8774" />
+  <D value="-0.0010936" />
+  <E value="-4.1576E-07" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21601" />
+  <B value="165.76" />
+  <C value="0.70158" />
+  <D value="-0.0011115" />
+  <E value="0.0000004681" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.694498" />
+  <B value="-3535" />
+  <C value="-21.21" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.729" />
+  <B value="3936.8" />
+  <C value="-71.33" />
+  <Tmin units="K"  value="420.7" />
+  <Tmax units="K"  value="623.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="7.3538" />
+  <B value="-0.06058" />
+  <C value="0.000058645" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="559.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2901" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.21662E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="338.1071" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.80999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.62382" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0422" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.02441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.38089" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0916034" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.82" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.45596" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.404143" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24125.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0916034" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="37"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="43"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="37"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="36"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="62-53-3" />
+<Smiles name="SMILES"  value="c1(N)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1080" />
+<CompoundID name="Name"  value="Cyclohexanone" />
+<StructureFormula name="Structure"  value="-CH2CO(CH2)3CH2-" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="653" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="428.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.80118" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.143" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.104111" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.299006" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.511E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.03E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.261E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.028E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334260" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1190000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.931362" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.299E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.803" />
+  <B value="-0.0058836" />
+  <Tmin units="K"  value="96.8" />
+  <Tmax units="K"  value="242" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8601" />
+  <B value="0.26829" />
+  <C value="653" />
+  <D value="0.29808" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.93885" />
+  <B value="-7280.529" />
+  <C value="-6.943105" />
+  <D value="3.624646E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="241.45" />
+  <Tmax units="K"  value="653" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.763E+07" />
+  <B value="1.0666" />
+  <C value="-1.0647" />
+  <D value="0.39633" />
+  <E value="0.019258" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5371.7" />
+  <B value="717.87" />
+  <C value="-1.4937" />
+  <D value="0.0041059" />
+  <E value="-0.0000050183" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="242" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="17987" />
+  <B value="-72.539" />
+  <C value="10.794" />
+  <D value="0.0063056" />
+  <E value="-0.0000049607" />
+  <Tmin units="K"  value="250.9" />
+  <Tmax units="K"  value="489.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63931" />
+  <B value="-772.15" />
+  <C value="13.468" />
+  <D value="-0.00038098" />
+  <E value="7.7306E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.191" />
+  <B value="-261.99" />
+  <C value="-70.335" />
+  <D value="-58777" />
+  <E value="93808" />
+  <Tmin units="K"  value="326.5" />
+  <Tmax units="K"  value="1791.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.877" />
+  <B value="3012.8" />
+  <C value="3.7501" />
+  <D value="0.0000021994" />
+  <E value="2" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.3484E-08" />
+  <B value="0.89115" />
+  <C value="65.345" />
+  <D value="-657.26" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11507" />
+  <B value="-853.65" />
+  <C value="4.7946" />
+  <D value="-0.021722" />
+  <E value="0.0000091954" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1104.9" />
+  <B value="-0.018396" />
+  <C value="479160" />
+  <D value="-8.1392E+09" />
+  <Tmin units="K"  value="428.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011699" />
+  <B value="67.123" />
+  <C value="-3.1713" />
+  <D value="0.0010174" />
+  <E value="-0.0000048961" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37786.54" />
+  <B value="553.5432" />
+  <C value="-0.19528" />
+  <D value="-0.000015263" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.94714" />
+  <B value="-9100" />
+  <C value="-54.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.878" />
+  <B value="4095.6" />
+  <C value="-32.667" />
+  <Tmin units="K"  value="392" />
+  <Tmax units="K"  value="566.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.2624" />
+  <B value="-0.062923" />
+  <C value="0.000071015" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3271" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.4136E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="211.4629" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="124.61" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0447" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.950333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.44089" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104167" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.07" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.11" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.445" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20139.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104167" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="19"  value="1" />
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-94-1" />
+<Smiles name="SMILES"  value="C1(=O)CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="137" />
+<CompoundID name="Name"  value="Cyclohexane" />
+<StructureFormula name="Structure"  value="-(CH2)6-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4073000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.308" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="279.69" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="279.69" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5362.51" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10875" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.211" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.242E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0614" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.233E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.191E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="297276" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2740000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84082" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.656E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.172" />
+  <B value="-1.6546E-09" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="102.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.93459" />
+  <B value="0.28022" />
+  <C value="553.5" />
+  <D value="0.29409" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="539.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.82965" />
+  <B value="-6246.688" />
+  <C value="-8.778766" />
+  <D value="6.933726E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.06" />
+  <Tmax units="K"  value="553.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4856E+07" />
+  <B value="0.35691" />
+  <C value="0.26181" />
+  <D value="-0.47647" />
+  <E value="0.25741" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15676" />
+  <B value="1496.2" />
+  <C value="-12.474" />
+  <D value="0.05833" />
+  <E value="-0.000090756" />
+  <Tmin units="K"  value="12.72" />
+  <Tmax units="K"  value="214.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116110" />
+  <B value="127.67" />
+  <C value="6.7654" />
+  <D value="0.01311" />
+  <E value="-0.0000060013" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42569" />
+  <B value="-588.9" />
+  <C value="12.962" />
+  <D value="0.00028376" />
+  <E value="-1.4009E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18016" />
+  <B value="-184.14" />
+  <C value="-29.307" />
+  <D value="-1704.4" />
+  <E value="611.89" />
+  <Tmin units="K"  value="276.7" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-132.2852" />
+  <B value="5905.41" />
+  <C value="18.88092" />
+  <D value="-0.000023942" />
+  <E value="2" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="443.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7726E-08" />
+  <B value="0.83665" />
+  <C value="36.786" />
+  <D value="-20.301" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="900" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.073881" />
+  <B value="-301.5" />
+  <C value="0.30119" />
+  <D value="-0.0068406" />
+  <E value="-0.0000028646" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="353.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="8.5865E-07" />
+  <B value="1.771" />
+  <C value="243.16" />
+  <D value="-9.1779" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087482" />
+  <B value="76.318" />
+  <C value="-3.6017" />
+  <D value="0.0023868" />
+  <E value="-0.0000086088" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="539.37" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33549" />
+  <B value="-36.858" />
+  <C value="1.3997" />
+  <D value="-0.0017273" />
+  <E value="6.4404E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.079" />
+  <B value="3073.1" />
+  <C value="-32.254" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="498.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.4141" />
+  <B value="-0.040658" />
+  <C value="0.000041452" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="443.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.984576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="337.4554" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2729" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.39847" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.043" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781822" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21277" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10886" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0464" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.24" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.24" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004637" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.94148" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2032" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16773.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1087" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="13"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-82-7" />
+<Smiles name="SMILES"  value="C1CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="216" />
+<CompoundID name="Name"  value="1-hexene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)3CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="504" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3143000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="336.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="133.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000516" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1259" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06477" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.11E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.167E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.7E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9347000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91267" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.7397E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.136" />
+  <B value="-0.0098653" />
+  <Tmin units="K"  value="53.36" />
+  <Tmax units="K"  value="133.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42588" />
+  <B value="0.20073" />
+  <C value="504" />
+  <D value="0.21659" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="503.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.18966" />
+  <B value="-5302.032" />
+  <C value="-5.914346" />
+  <D value="4.387106E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="504" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3654E+07" />
+  <B value="0.036065" />
+  <C value="1.7176" />
+  <D value="-2.6805" />
+  <E value="1.3349" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="484.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4541.5" />
+  <B value="446.61" />
+  <C value="22.183" />
+  <D value="-0.29201" />
+  <E value="0.0010887" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="132" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120740" />
+  <B value="197.35" />
+  <C value="7.4671" />
+  <D value="0.012038" />
+  <E value="-0.0000076352" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="404" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79063" />
+  <B value="-588.63" />
+  <C value="12.822" />
+  <D value="0.00010837" />
+  <E value="-3.9549E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20992" />
+  <B value="-237.14" />
+  <C value="-25.743" />
+  <D value="-1791.1" />
+  <E value="2218.7" />
+  <Tmin units="K"  value="251.99" />
+  <Tmax units="K"  value="1763.93" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.027" />
+  <B value="774.41" />
+  <C value="-0.14562" />
+  <D value="-2.993E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="336.63" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.708E-08" />
+  <B value="0.81478" />
+  <C value="53.202" />
+  <D value="774.03" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.049094" />
+  <B value="18.334" />
+  <C value="-2.2175" />
+  <D value="0.0015607" />
+  <E value="-0.000010695" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000064257" />
+  <B value="1.1355" />
+  <C value="445.14" />
+  <D value="64830" />
+  <Tmin units="K"  value="336.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012297" />
+  <B value="11.887" />
+  <C value="-2.8945" />
+  <D value="-0.00077443" />
+  <E value="-0.0000046447" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="484.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="52406" />
+  <B value="102.7" />
+  <C value="0.8529" />
+  <D value="-0.0011866" />
+  <E value="4.7459E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.306" />
+  <B value="2992.5" />
+  <C value="-30.644" />
+  <Tmin units="K"  value="302.74" />
+  <Tmax units="K"  value="445.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.31346" />
+  <B value="-0.05007" />
+  <C value="0.000071081" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="336.63" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.35089" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.473968E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.8451" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0462" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.671653" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28499" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.125765" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.27" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.64" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003219" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2463" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15136.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1258" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-41-6" />
+<Smiles name="SMILES"  value="C=CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="105" />
+<CompoundID name="Name"  value="Methylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="532.79" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3784000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.319" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="344.98" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="130.73" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="130.73" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000224525" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11313" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.227" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.299E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06017" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.52E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.062E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.63E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6929000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89391" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.6741E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.305" />
+  <B value="-0.011236" />
+  <Tmin units="K"  value="52.29" />
+  <Tmax units="K"  value="130.73" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63455" />
+  <B value="0.23477" />
+  <C value="532.79" />
+  <D value="0.24394" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.18203" />
+  <B value="-5470.368" />
+  <C value="-6.215132" />
+  <D value="4.384737E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.986429E+07" />
+  <B value="0.75425" />
+  <C value="-0.186227" />
+  <D value="-0.50621" />
+  <E value="0.35999" />
+  <Tmin units="K"  value="130.72" />
+  <Tmax units="K"  value="532.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21181" />
+  <B value="1799.3" />
+  <C value="-12.463" />
+  <D value="0.018536" />
+  <E value="0.00015326" />
+  <Tmin units="K"  value="20.92" />
+  <Tmax units="K"  value="130.72" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102830" />
+  <B value="317.53" />
+  <C value="4.999" />
+  <D value="0.022368" />
+  <E value="-0.000020298" />
+  <Tmin units="K"  value="126.58" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55624" />
+  <B value="-676.34" />
+  <C value="13.207" />
+  <D value="-0.0001363" />
+  <E value="2.6321E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12419" />
+  <B value="-105.76" />
+  <C value="-38.365" />
+  <D value="4383.1" />
+  <E value="-10749" />
+  <Tmin units="K"  value="250.72" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.2288" />
+  <B value="846.65" />
+  <C value="-0.18612" />
+  <D value="-0.0000022383" />
+  <E value="2" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000009078" />
+  <B value="0.495" />
+  <C value="355.78" />
+  <D value="10.622" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040815" />
+  <B value="4.4808" />
+  <C value="-1.5434" />
+  <D value="-0.00050494" />
+  <E value="-0.0000017671" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="344.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0076653" />
+  <B value="0.48521" />
+  <C value="479.72" />
+  <D value="658190" />
+  <Tmin units="K"  value="344.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093168" />
+  <B value="26.403" />
+  <C value="-3.0884" />
+  <D value="0.00036246" />
+  <E value="-0.0000065372" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44724" />
+  <B value="-68.661" />
+  <C value="1.4378" />
+  <D value="-0.0017998" />
+  <E value="6.8702E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.957" />
+  <B value="2887.5" />
+  <C value="-38.834" />
+  <Tmin units="K"  value="319.7" />
+  <Tmax units="K"  value="477.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.3777" />
+  <B value="-0.03038" />
+  <C value="0.00003135" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31812" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.081712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.5659" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.53959" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0432" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.752065" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23217" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.113042" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.97" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.01" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001461" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1464" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16057.17" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-37-7" />
+<Smiles name="SMILES"  value="C1(C)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1151" />
+<CompoundID name="Name"  value="Cyclohexanol" />
+<StructureFormula name="Structure"  value="-CH(OH)(CH2)4CH2-" />
+<Family name="Family"  value="47" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="650.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4260000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.322" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="296.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="296.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="76.4997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105751" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.369047" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.601E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06484" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.862E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.095E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="327700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1783000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.70742" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.4639E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.987" />
+  <B value="-0.004344" />
+  <Tmin units="K"  value="118.64" />
+  <Tmax units="K"  value="296.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90826" />
+  <B value="0.27716" />
+  <C value="650.1" />
+  <D value="0.30685" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="631.49" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-31.63718" />
+  <B value="-3989.985" />
+  <C value="9.013268" />
+  <D value="-0.0000126698" />
+  <E value="2" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="650.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.128838E+07" />
+  <B value="0.392061" />
+  <C value="-2.168338" />
+  <D value="5.552036" />
+  <E value="-3.376933" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="631.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7568.9" />
+  <B value="1079.5" />
+  <C value="-5.8888" />
+  <D value="0.020493" />
+  <E value="-0.000021735" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="260" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-69485" />
+  <B value="774.7" />
+  <C value="4.4167" />
+  <D value="0.025384" />
+  <E value="-0.000022994" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="434" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82477" />
+  <B value="-807.95" />
+  <C value="13.526" />
+  <D value="-0.00028702" />
+  <E value="2.5016E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21842" />
+  <B value="-283.51" />
+  <C value="-60.937" />
+  <D value="-15490" />
+  <E value="3379.6" />
+  <Tmin units="K"  value="325.05" />
+  <Tmax units="K"  value="1992" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-437.51" />
+  <B value="22529" />
+  <C value="63.787" />
+  <D value="-0.000049001" />
+  <E value="2" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="520.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1528E-08" />
+  <B value="0.83387" />
+  <C value="90.96" />
+  <D value="4936.6" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.075187" />
+  <B value="-249.81" />
+  <C value="-0.16784" />
+  <D value="-0.0068233" />
+  <E value="0.0000026882" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="563.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0030349" />
+  <B value="0.6097" />
+  <C value="669.35" />
+  <D value="478820" />
+  <Tmin units="K"  value="434" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.026687" />
+  <B value="-3.1724" />
+  <C value="-2.4129" />
+  <D value="-0.00081796" />
+  <E value="-0.0000016257" />
+  <Tmin units="K"  value="289.35" />
+  <Tmax units="K"  value="631.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-55496.57" />
+  <B value="720.9032" />
+  <C value="-0.408358" />
+  <D value="0.0000822993" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.352" />
+  <B value="2624.4" />
+  <C value="-136.7" />
+  <Tmin units="K"  value="393.5" />
+  <Tmax units="K"  value="575.68" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="19.441" />
+  <B value="-0.10551" />
+  <C value="0.000099651" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="520.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3377" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.623128E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="305.6995" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.33694" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0456" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.961934" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5296" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104294" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.27" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.51" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.208" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.514148" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23672.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104294" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-93-0" />
+<Smiles name="SMILES"  value="OC1CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="14" />
+<CompoundID name="Name"  value="2,2-dimethylbutane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)3" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="488.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3080000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3591" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="322.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.0748" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13373" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.233" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.476E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13770" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.83E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8468E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8745000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="358340" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="579100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8342" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8411E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.998" />
+  <B value="-0.0069098" />
+  <Tmin units="K"  value="69.71" />
+  <Tmax units="K"  value="174.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68727" />
+  <B value="0.26184" />
+  <C value="489.01" />
+  <D value="0.26217" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="489" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.2252" />
+  <B value="-6117.857" />
+  <C value="-11.25759" />
+  <D value="0.0000123761" />
+  <E value="2" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="489" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.850808E+07" />
+  <B value="1.595989" />
+  <C value="-1.437803" />
+  <D value="0.0287957" />
+  <E value="0.293443" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="472.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19150" />
+  <B value="1973.9" />
+  <C value="-19.068" />
+  <D value="0.10881" />
+  <E value="-0.0001861" />
+  <Tmin units="K"  value="12.86" />
+  <Tmax units="K"  value="167.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117360" />
+  <B value="-28.344" />
+  <C value="9.2143" />
+  <D value="0.0086854" />
+  <E value="-0.00000596" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73375" />
+  <B value="-521.55" />
+  <C value="12.775" />
+  <D value="0.00038975" />
+  <E value="-1.1854E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19877" />
+  <B value="-197.24" />
+  <C value="-29.493" />
+  <D value="-899.68" />
+  <E value="-190.18" />
+  <Tmin units="K"  value="244.37" />
+  <Tmax units="K"  value="1954.92" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="22.562" />
+  <B value="-455.85" />
+  <C value="-5.0804" />
+  <D value="-5.7101E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9362E-07" />
+  <B value="0.68259" />
+  <C value="102.35" />
+  <D value="-10.082" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038291" />
+  <B value="4.8824" />
+  <C value="-1.6311" />
+  <D value="-0.00047294" />
+  <E value="-0.0000023877" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="322.89" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018521" />
+  <B value="0.9549" />
+  <C value="83.825" />
+  <D value="174320" />
+  <Tmin units="K"  value="322.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012433" />
+  <B value="29.735" />
+  <C value="-3.2504" />
+  <D value="0.00031415" />
+  <E value="-0.0000057433" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="472.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25002" />
+  <B value="324.75" />
+  <C value="0.40334" />
+  <D value="-0.00068536" />
+  <E value="2.7995E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.782" />
+  <B value="2690.4" />
+  <C value="-32.326" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="439.31" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.3309" />
+  <B value="-0.018831" />
+  <C value="0.00001104" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.366863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.326557E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.0381" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.0743" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0475" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.65323" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23385" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133712" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4983" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006195" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.31834" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.23385" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13771.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133712" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-83-2" />
+<Smiles name="SMILES"  value="CC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="15" />
+<CompoundID name="Name"  value="2,3-dimethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH(CH3)2" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3576" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="145.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="145.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0152127" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13117" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.636E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.768E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3125000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="365920" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="799100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85804" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.84761E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.428" />
+  <B value="-0.008415" />
+  <Tmin units="K"  value="58.08" />
+  <Tmax units="K"  value="145.19" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67999" />
+  <B value="0.25932" />
+  <C value="500.01" />
+  <D value="0.25836" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="500" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="76.80058" />
+  <B value="-5679.218" />
+  <C value="-8.443302" />
+  <D value="7.93783E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="500" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7443E+07" />
+  <B value="0.91932" />
+  <C value="-0.91329" />
+  <D value="0.50392" />
+  <E value="-0.089442" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="481.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21392" />
+  <B value="2002.6" />
+  <C value="-18.844" />
+  <D value="0.11065" />
+  <E value="-0.00021726" />
+  <Tmin units="K"  value="17.2" />
+  <Tmax units="K"  value="136.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126350" />
+  <B value="-53.429" />
+  <C value="8.8794" />
+  <D value="0.010279" />
+  <E value="-0.0000080841" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46722" />
+  <B value="-391.59" />
+  <C value="12.599" />
+  <D value="0.00056088" />
+  <E value="-1.7583E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20289" />
+  <B value="-208.43" />
+  <C value="-28.236" />
+  <D value="-12822" />
+  <E value="38509" />
+  <Tmin units="K"  value="295.95" />
+  <Tmax units="K"  value="1999.72" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="6.9204" />
+  <B value="231.1" />
+  <C value="-2.7393" />
+  <D value="-1.3079E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.8449E-07" />
+  <B value="0.52371" />
+  <C value="291.92" />
+  <D value="-3199.1" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.05308" />
+  <B value="-5.5491" />
+  <C value="-1.4118" />
+  <D value="-0.0011735" />
+  <E value="-7.4229E-07" />
+  <Tmin units="K"  value="140" />
+  <Tmax units="K"  value="331.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000032078" />
+  <B value="1.1749" />
+  <C value="-107.52" />
+  <D value="129270" />
+  <Tmin units="K"  value="331.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013057" />
+  <B value="15.542" />
+  <C value="-3.0183" />
+  <D value="-0.0004395" />
+  <E value="-0.0000046347" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="481.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18408" />
+  <B value="618.2" />
+  <C value="-0.30739" />
+  <D value="0.000022699" />
+  <E value="2.5609E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.905" />
+  <B value="2797" />
+  <C value="-32.946" />
+  <Tmin units="K"  value="300.4" />
+  <Tmax units="K"  value="443.98" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7621" />
+  <B value="-0.029455" />
+  <C value="0.000029461" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.361" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.40238E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.0044" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2694" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02497" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0473" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.665168" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2477" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13105" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4982" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.848" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004579" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.01856" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.24754" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14352.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13105" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-29-8" />
+<Smiles name="SMILES"  value="CC(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="11" />
+<CompoundID name="Name"  value="N-hexane" />
+<StructureFormula name="Structure"  value="CH3(CH2)4CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3025000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.88" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.901695" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13159" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.769E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06826" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.64E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6694E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-66340" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="388740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.308E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93264" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8551E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.657" />
+  <B value="-0.004653" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="177.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55661" />
+  <B value="0.23506" />
+  <C value="507.6" />
+  <D value="0.24183" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="507.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.56625" />
+  <B value="-5848.968" />
+  <C value="-7.46028" />
+  <D value="0.0000050823" />
+  <E value="2" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="507.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.086241E+07" />
+  <B value="-1.014854" />
+  <C value="4.97802" />
+  <D value="-6.266175" />
+  <E value="2.685532" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="493.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24158" />
+  <B value="1979.3" />
+  <C value="-14.888" />
+  <D value="0.068541" />
+  <E value="-0.0001167" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="177.86" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="155690" />
+  <B value="5.9137" />
+  <C value="7.3123" />
+  <D value="0.013809" />
+  <E value="-0.0000093814" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94649" />
+  <B value="-698.41" />
+  <C value="13.164" />
+  <D value="-0.00011992" />
+  <E value="2.9719E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25955" />
+  <B value="-274.01" />
+  <C value="-26.704" />
+  <D value="-1514.2" />
+  <E value="-624.88" />
+  <Tmin units="K"  value="184" />
+  <Tmax units="K"  value="1775.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-62.582" />
+  <B value="2308.7" />
+  <C value="8.5085" />
+  <D value="-0.000019741" />
+  <E value="2" />
+  <Tmin units="K"  value="174.65" />
+  <Tmax units="K"  value="406.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3843E-07" />
+  <B value="0.62082" />
+  <C value="239.17" />
+  <D value="-260.6" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12682" />
+  <B value="-1.5015" />
+  <C value="-1.0467" />
+  <D value="-0.00088709" />
+  <E value="-9.3679E-07" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="370" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-569.52" />
+  <B value="0.7943" />
+  <C value="-1.1379E+09" />
+  <D value="-8.2055E+09" />
+  <Tmin units="K"  value="339.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.10385" />
+  <B value="-14.131" />
+  <C value="-1.6676" />
+  <D value="-0.0015618" />
+  <E value="8.4369E-07" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="493.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="73425" />
+  <B value="-1.3802" />
+  <C value="1.1891" />
+  <D value="-0.0015227" />
+  <E value="5.9232E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.746" />
+  <B value="2711.8" />
+  <C value="-47.914" />
+  <Tmin units="K"  value="304.74" />
+  <Tmax units="K"  value="455.53" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.4168" />
+  <B value="-0.034217" />
+  <C value="0.000039014" />
+  <Tmin units="K"  value="174.65" />
+  <Tmax units="K"  value="406.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3682" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.611036E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.2893" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2635" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.662664" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3007" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.131306" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4998" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.856" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.856" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.007459" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2927" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14870.79" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1316" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-54-3" />
+<Smiles name="SMILES"  value="CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="12" />
+<CompoundID name="Name"  value="2-methylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CH(CH3)2" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3010000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3667" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="333.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="119.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="119.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000206558" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13289" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.278" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.784E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.7455E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5338000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6268000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95879" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.84915E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.67" />
+  <B value="-0.010749" />
+  <Tmin units="K"  value="47.82" />
+  <Tmax units="K"  value="119.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.657" />
+  <B value="0.25467" />
+  <C value="497.71" />
+  <D value="0.26808" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="497.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.6873" />
+  <B value="-5802.911" />
+  <C value="-8.543267" />
+  <D value="7.871718E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="497.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.724E+07" />
+  <B value="0.784961" />
+  <C value="-0.571271" />
+  <D value="0.114935" />
+  <E value="0.0796185" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="477.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16692" />
+  <B value="1658.2" />
+  <C value="-10.279" />
+  <D value="0.040384" />
+  <E value="-0.000049521" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="119.53" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137510" />
+  <B value="-55.266" />
+  <C value="8.2006" />
+  <D value="0.013273" />
+  <E value="-0.00001165" />
+  <Tmin units="K"  value="103.56" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70761" />
+  <B value="-504.8" />
+  <C value="12.795" />
+  <D value="0.00029839" />
+  <E value="-9.4564E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20379" />
+  <B value="-202.65" />
+  <C value="-31.838" />
+  <D value="492.86" />
+  <E value="-3834.6" />
+  <Tmin units="K"  value="248.73" />
+  <Tmax units="K"  value="1989.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.416" />
+  <B value="938.41" />
+  <C value="0.18259" />
+  <D value="4.2586E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020458" />
+  <B value="0.38326" />
+  <C value="542.64" />
+  <D value="-1147.6" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.099248" />
+  <B value="3.6931" />
+  <C value="-1.2881" />
+  <D value="-0.00063949" />
+  <E value="-0.0000011122" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="389.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056887" />
+  <B value="1.0953" />
+  <C value="-66.761" />
+  <D value="139530" />
+  <Tmin units="K"  value="333.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015522" />
+  <B value="7.9529" />
+  <C value="-2.8734" />
+  <D value="-0.0008781" />
+  <E value="-0.0000036183" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="477.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="17427" />
+  <B value="385.95" />
+  <C value="0.25974" />
+  <D value="-0.0005678" />
+  <E value="2.4129E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.737" />
+  <B value="2653.5" />
+  <C value="-45.343" />
+  <Tmin units="K"  value="298.67" />
+  <Tmax units="K"  value="437.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.1171" />
+  <B value="-0.062164" />
+  <C value="0.00009219" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3677" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.51431E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.9927" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2581" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45339" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.656507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2791" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132931" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.499" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.852" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003898" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.85782" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2791" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14417.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132931" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-83-5" />
+<Smiles name="SMILES"  value="CC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="13" />
+<CompoundID name="Name"  value="3-methylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="504.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3120000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3667" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="336.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="110.251" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="110.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.13745E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13062" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.273" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.695E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.72E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3420000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="383000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5303200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0567" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.85137E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.818" />
+  <B value="-0.011634" />
+  <Tmin units="K"  value="44.1" />
+  <Tmax units="K"  value="110.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.64191" />
+  <B value="0.2518" />
+  <C value="504.61" />
+  <D value="0.25114" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="504.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.3869" />
+  <B value="-6792.289" />
+  <C value="-12.56583" />
+  <D value="0.0000127267" />
+  <E value="2" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="504.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.261039E+07" />
+  <B value="1.021512" />
+  <C value="-0.656827" />
+  <D value="-0.222599" />
+  <E value="0.294618" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="483.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16129" />
+  <B value="1666.4" />
+  <C value="-9.7944" />
+  <D value="0.031943" />
+  <E value="-0.0000041663" />
+  <Tmin units="K"  value="15.63" />
+  <Tmax units="K"  value="110.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124870" />
+  <B value="37.47" />
+  <C value="8.4986" />
+  <D value="0.010489" />
+  <E value="-0.0000074005" />
+  <Tmin units="K"  value="79.81" />
+  <Tmax units="K"  value="336.43" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66323" />
+  <B value="-479.35" />
+  <C value="12.713" />
+  <D value="0.00041058" />
+  <E value="-1.3725E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2197" />
+  <B value="-311.6" />
+  <C value="-21.56" />
+  <D value="108.65" />
+  <E value="-1264.8" />
+  <Tmin units="K"  value="252.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.4466" />
+  <B value="561.39" />
+  <C value="-0.97496" />
+  <D value="-4.1525E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="336.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014857" />
+  <B value="0.42502" />
+  <C value="455.77" />
+  <D value="119.73" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.013685" />
+  <B value="32.912" />
+  <C value="-2.24" />
+  <D value="0.00097964" />
+  <E value="-0.0000056292" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="402" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000050178" />
+  <B value="1.1143" />
+  <C value="-67.556" />
+  <D value="138050" />
+  <Tmin units="K"  value="336.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013421" />
+  <B value="7.9798" />
+  <C value="-2.865" />
+  <D value="-0.00092552" />
+  <E value="-0.0000040501" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="483.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3600.2" />
+  <B value="92.648" />
+  <C value="0.060696" />
+  <D value="-0.00013403" />
+  <E value="5.737E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.831" />
+  <B value="2755" />
+  <C value="-40.41" />
+  <Tmin units="K"  value="304.91" />
+  <Tmax units="K"  value="442.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2793" />
+  <B value="-0.02952" />
+  <C value="0.00003287" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="336.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36333" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.342884E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="307.5203" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2575" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.3701" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0473" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.667684" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2741" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130633" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.499" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.852" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7417" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.275" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14871.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130633" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-14-0" />
+<Smiles name="SMILES"  value="CCC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1203" />
+<CompoundID name="Name"  value="Triethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OCH2CH2OCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="769.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.443" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="561.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="265.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="265.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000327262" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="150.173" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134127" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.755952" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.71E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08486" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.22E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.251E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.86E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="556500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.82E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.6" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.2498E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6467" />
+  <B value="-0.0040367" />
+  <Tmin units="K"  value="106.38" />
+  <Tmax units="K"  value="265.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60697" />
+  <B value="0.26444" />
+  <C value="769.5" />
+  <D value="0.24805" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-148.0973" />
+  <B value="-1446.895" />
+  <C value="26.95817" />
+  <D value="-0.0000266538" />
+  <E value="2" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.392895E+08" />
+  <B value="1.422819" />
+  <C value="-1.625802" />
+  <D value="1.207667" />
+  <E value="-0.563316" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7555" />
+  <B value="958.48" />
+  <C value="-1.8743" />
+  <D value="0.0048051" />
+  <E value="-0.0000054467" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="265.95" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="234210" />
+  <B value="-89.741" />
+  <C value="10.328" />
+  <D value="0.0058089" />
+  <E value="-0.0000030565" />
+  <Tmin units="K"  value="265.79" />
+  <Tmax units="K"  value="666.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88442" />
+  <B value="-417.2" />
+  <C value="12.845" />
+  <D value="0.00037163" />
+  <E value="-1.3999E-07" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26304" />
+  <B value="-239.99" />
+  <C value="-308.91" />
+  <D value="-754640" />
+  <E value="1516300" />
+  <Tmin units="K"  value="384.75" />
+  <Tmax units="K"  value="1950" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-354.9911" />
+  <B value="16471.68" />
+  <C value="54.55389" />
+  <D value="-0.0481353" />
+  <E value="1" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="615.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.2508E-08" />
+  <B value="0.8077" />
+  <C value="134.01" />
+  <D value="-6653.4" />
+  <Tmin units="K"  value="265.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.089806" />
+  <B value="0.43077" />
+  <C value="-1.6802" />
+  <D value="0.0024003" />
+  <E value="-0.0000033612" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="666.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000048035" />
+  <B value="1.4025" />
+  <C value="164.43" />
+  <D value="15114" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.053881" />
+  <B value="-24.705" />
+  <C value="-1.9439" />
+  <D value="-0.00084717" />
+  <E value="-3.9189E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="548.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14259" />
+  <B value="713.43" />
+  <C value="-0.4134" />
+  <D value="0.000089194" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.58412" />
+  <B value="-10424.37" />
+  <C value="-5.193019" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="769" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.583" />
+  <B value="3555.2" />
+  <C value="-168.11" />
+  <Tmin units="K"  value="463.15" />
+  <Tmax units="K"  value="689.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="12.563" />
+  <B value="-0.071122" />
+  <C value="0.000060989" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="615.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.463689" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.297988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.1291" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.224225" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0853" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.12845" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.758714" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134187" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5342" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.758714" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23437.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134187" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="26"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="28"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="21"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="26"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="25"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-27-6" />
+<Smiles name="SMILES"  value="OCCOCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1706" />
+<CompoundID name="Name"  value="Triethylamine" />
+<StructureFormula name="Structure"  value="(C2H5)3N" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.39" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0106462" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="101.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13996" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.316193" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.73E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15170" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07603" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.064E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.141E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="405400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8520000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0865" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.0405E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.511" />
+  <B value="-0.0073745" />
+  <Tmin units="K"  value="63.38" />
+  <Tmax units="K"  value="158.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74443" />
+  <B value="0.28147" />
+  <C value="535" />
+  <D value="0.29639" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.5632" />
+  <B value="-7670.939" />
+  <C value="-13.23524" />
+  <D value="8.526035E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="535.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6361E+07" />
+  <B value="1.8179" />
+  <C value="-4.3508" />
+  <D value="5.0206" />
+  <E value="-2.0828" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197480" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-68176" />
+  <B value="-83.963" />
+  <C value="12.887" />
+  <D value="-0.00053012" />
+  <E value="0.0000014554" />
+  <Tmin units="K"  value="172.06" />
+  <Tmax units="K"  value="362.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118700" />
+  <B value="-798.83" />
+  <C value="13.439" />
+  <D value="-0.00026576" />
+  <E value="5.0253E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23952" />
+  <B value="-295.39" />
+  <C value="-29.513" />
+  <D value="-868.33" />
+  <E value="-1051.4" />
+  <Tmin units="K"  value="267.5" />
+  <Tmax units="K"  value="1872.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.1405" />
+  <B value="722.62" />
+  <C value="-0.37234" />
+  <D value="-0.0000014417" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="359.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6298E-07" />
+  <B value="0.63337" />
+  <C value="296.37" />
+  <D value="-2057.9" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.073124" />
+  <B value="-11.318" />
+  <C value="-1.1721" />
+  <D value="-0.001404" />
+  <E value="-1.7908E-07" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013191" />
+  <B value="0.98598" />
+  <C value="87.622" />
+  <D value="150050" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013624" />
+  <B value="18.483" />
+  <C value="-2.9718" />
+  <D value="-0.00033783" />
+  <E value="-0.0000042148" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38089" />
+  <B value="333.32" />
+  <C value="0.48166" />
+  <D value="-0.00083411" />
+  <E value="3.4863E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.736" />
+  <B value="2807.5" />
+  <C value="-56.935" />
+  <Tmin units="K"  value="321.01" />
+  <Tmax units="K"  value="475.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.4562" />
+  <B value="-0.026558" />
+  <C value="0.000027095" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="359.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.40259" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.771002E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="285.1725" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262814" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="134.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.90597" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0526" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.73294" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31959" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139672" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.01" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.26" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316157" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15176.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139672" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="121-44-8" />
+<Smiles name="SMILES"  value="CCN(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="502" />
+<CompoundID name="Name"  value="Toluene" />
+<StructureFormula name="Structure"  value="(C6H5)CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4108000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.316" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="383.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0475285" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10687" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.264" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.472E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05951" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.42E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.017E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.222E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="320990" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6636000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94689" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.734E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8605" />
+  <B value="0.013514" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="178.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89799" />
+  <B value="0.27359" />
+  <C value="591.75" />
+  <D value="0.30006" />
+  <Tmin units="K"  value="163.1" />
+  <Tmax units="K"  value="589.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="32.89891" />
+  <B value="-5013.81" />
+  <C value="-1.348918" />
+  <D value="-1.869928E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="592.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3752E+07" />
+  <B value="0.50341" />
+  <C value="0.24755" />
+  <D value="-0.72898" />
+  <E value="0.37794" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="569.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13924" />
+  <B value="1776.9" />
+  <C value="-16.369" />
+  <D value="0.074493" />
+  <E value="-0.00011377" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="178.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28291" />
+  <B value="48.171" />
+  <C value="10.912" />
+  <D value="0.0020542" />
+  <E value="8.7875E-07" />
+  <Tmin units="K"  value="178.1" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47225" />
+  <B value="-565.85" />
+  <C value="12.856" />
+  <D value="0.000005535" />
+  <E value="-1.998E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18928" />
+  <B value="-219.15" />
+  <C value="-45.645" />
+  <D value="1631.9" />
+  <E value="-13947" />
+  <Tmin units="K"  value="254" />
+  <Tmax units="K"  value="1775" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-152.84" />
+  <B value="5644.6" />
+  <C value="22.826" />
+  <D value="-0.000040987" />
+  <E value="2" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="383.78" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5581E-07" />
+  <B value="0.49514" />
+  <C value="307.82" />
+  <D value="1891.6" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.072922" />
+  <B value="-23.153" />
+  <C value="-1.0277" />
+  <D value="-0.0017074" />
+  <E value="3.6787E-07" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="474.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000006541" />
+  <B value="1.4227" />
+  <C value="190.97" />
+  <D value="21890" />
+  <Tmin units="K"  value="383.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014261" />
+  <B value="19.666" />
+  <C value="-2.7922" />
+  <D value="-0.00035188" />
+  <E value="-0.0000037637" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="569.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-43647.49" />
+  <B value="603.542" />
+  <C value="-0.399451" />
+  <D value="0.000104382" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.864" />
+  <B value="3019.2" />
+  <C value="-60.13" />
+  <Tmin units="K"  value="355.37" />
+  <Tmax units="K"  value="526.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="4.3267" />
+  <B value="-0.064947" />
+  <C value="0.000084431" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="383.78" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.283707E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.761" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2646" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.48" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58961" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0435" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.870044" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2651" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10685" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9228" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.968" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.968" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005125" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2132" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2591" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18245.86" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1068" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-88-3" />
+<Smiles name="SMILES"  value="c1ccccc1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1183" />
+<CompoundID name="Name"  value="M-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="705.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.241" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="475.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="285.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="285.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5.86242" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10499" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.452" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.87E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.323E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.019E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="356040" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0707E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16481" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52783E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="1.0425" />
+  <B value="0.033348" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="285.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76595" />
+  <B value="0.25907" />
+  <C value="705.86" />
+  <D value="0.2605" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.16" />
+  <B value="-12586" />
+  <C value="-17.327" />
+  <D value="0.0000073113" />
+  <E value="2" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.4557E+07" />
+  <B value="0.36419" />
+  <C value="1.602" />
+  <D value="-2.5634" />
+  <E value="1.0947" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8624" />
+  <B value="1322.8" />
+  <C value="-8.6572" />
+  <D value="0.031074" />
+  <E value="-0.000035842" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="285.39" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62676" />
+  <B value="-205.39" />
+  <C value="12.221" />
+  <D value="0.0027125" />
+  <E value="-0.0000038975" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58129" />
+  <B value="-537.86" />
+  <C value="12.936" />
+  <D value="-0.000090368" />
+  <E value="1.797E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18861" />
+  <B value="-374.13" />
+  <C value="-74.545" />
+  <D value="-19672" />
+  <E value="24912" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-1098.989" />
+  <B value="45628.63" />
+  <C value="168.1502" />
+  <D value="-0.000185183" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="564.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4432E-07" />
+  <B value="0.74376" />
+  <C value="166.32" />
+  <D value="-45.138" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10478" />
+  <B value="-476.78" />
+  <C value="0.8844" />
+  <D value="-0.0090128" />
+  <E value="0.0000031516" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="475.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016795" />
+  <B value="0.9362" />
+  <C value="585.89" />
+  <D value="24552" />
+  <Tmin units="K"  value="475.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.037429" />
+  <B value="67.939" />
+  <C value="-2.7738" />
+  <D value="0.00028133" />
+  <E value="-0.0000016386" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="683.72" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23954" />
+  <B value="227.87" />
+  <C value="0.66042" />
+  <D value="-0.0011161" />
+  <E value="4.8581E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.829242" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.349" />
+  <B value="3668.1" />
+  <C value="-101.91" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="635" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.702" />
+  <B value="-0.065218" />
+  <C value="0.000050873" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="564.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.342" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.980332E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.6595" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.241" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.28602" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0461" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03693" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.45399" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104996" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.33197" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.45" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24080.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104996" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-39-4" />
+<Smiles name="SMILES"  value="c1(O)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1182" />
+<CompoundID name="Name"  value="O-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="697.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.282" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="464.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="304.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="304.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="65.3261" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10364" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.435" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2857E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.543E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352590" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.582E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2881" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.5708" />
+  <B value="0.019375" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1115" />
+  <B value="0.30952" />
+  <C value="697.6" />
+  <D value="0.31161" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="676.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="140.51" />
+  <B value="-11819" />
+  <C value="-17.163" />
+  <D value="0.0000087043" />
+  <E value="2" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="697.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9721E+07" />
+  <B value="1.0333" />
+  <C value="0.08043" />
+  <D value="-1.2193" />
+  <E value="0.58124" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="697.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8031.4" />
+  <B value="1109.1" />
+  <C value="-6.0897" />
+  <D value="0.022423" />
+  <E value="-0.000027975" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="304.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146600" />
+  <B value="-116.23" />
+  <C value="11.009" />
+  <D value="0.0034596" />
+  <E value="-0.0000033446" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64367" />
+  <B value="-535.92" />
+  <C value="12.871" />
+  <D value="-0.000033383" />
+  <E value="-2.2759E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19264" />
+  <B value="-372.93" />
+  <C value="-69.055" />
+  <D value="-19860" />
+  <E value="28563" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-455.0775" />
+  <B value="20670.83" />
+  <C value="67.87773" />
+  <D value="-0.0000660983" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="558.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.7371E-08" />
+  <B value="0.80775" />
+  <C value="98.538" />
+  <D value="-0.0034513" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065471" />
+  <B value="92.351" />
+  <C value="-2.8415" />
+  <D value="0.0012245" />
+  <E value="-0.0000029956" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="464.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018648" />
+  <B value="0.9302" />
+  <C value="709.37" />
+  <D value="-0.0036596" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094371" />
+  <B value="291.18" />
+  <C value="-4.9944" />
+  <D value="0.0057186" />
+  <E value="-0.0000083653" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="697.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23912" />
+  <B value="217.36" />
+  <C value="0.71039" />
+  <D value="-0.0011838" />
+  <E value="5.1458E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-10.30921" />
+  <B value="-5750" />
+  <C value="-34.5" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.629" />
+  <B value="3891.6" />
+  <C value="-79.086" />
+  <Tmin units="K"  value="419.41" />
+  <Tmax units="K"  value="625" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="8.2341" />
+  <B value="-0.06124" />
+  <C value="0.000056109" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="558.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.33928" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.682421E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.7063" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4627" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0458" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03606" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.43299" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104368" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.2512" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.433455" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23397.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104368" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-48-7" />
+<Smiles name="SMILES"  value="c1(O)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1184" />
+<CompoundID name="Name"  value="P-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="704.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.277" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="475.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="307.93" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="307.93" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="34.4658" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.51" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.762E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24030" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2535E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.166E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350750" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2707E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.5401" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52256E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.671" />
+  <B value="2.0813E-16" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.94818" />
+  <B value="0.2877" />
+  <C value="704.66" />
+  <D value="0.2873" />
+  <Tmin units="K"  value="307.89" />
+  <Tmax units="K"  value="704.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="236.9207" />
+  <B value="-17215.31" />
+  <C value="-31.28645" />
+  <D value="0.0000163766" />
+  <E value="2" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="704.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3617E+08" />
+  <B value="1.404" />
+  <C value="0.8091" />
+  <D value="-3.6055" />
+  <E value="2.0268" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="704.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8780.1" />
+  <B value="1223.4" />
+  <C value="-7.2115" />
+  <D value="0.025844" />
+  <E value="-0.000031593" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="307.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142400" />
+  <B value="625.27" />
+  <C value="3.2944" />
+  <D value="0.02818" />
+  <E value="-0.000027958" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58748" />
+  <B value="-529.02" />
+  <C value="12.887" />
+  <D value="-0.0000351" />
+  <E value="-1.6131E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19347" />
+  <B value="-378.82" />
+  <C value="-72.032" />
+  <D value="-21261" />
+  <E value="30195" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-820.7853" />
+  <B value="35522.87" />
+  <C value="124.3969" />
+  <D value="-0.000127538" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="563.72" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4308E-07" />
+  <B value="0.74508" />
+  <C value="159.9" />
+  <D value="-24.834" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061771" />
+  <B value="-123.88" />
+  <C value="-1.1823" />
+  <D value="-0.0033339" />
+  <E value="0.0000010151" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="475.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016735" />
+  <B value="0.93839" />
+  <C value="592.49" />
+  <D value="25704" />
+  <Tmin units="K"  value="475.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.051662" />
+  <B value="10.481" />
+  <C value="-2.2269" />
+  <D value="-0.00060182" />
+  <E value="-6.5093E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="683.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37249.74" />
+  <B value="691.7826" />
+  <C value="-0.559108" />
+  <D value="0.000190677" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.853943" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="249.7056" />
+  <Tmax units="K"  value="419.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.566" />
+  <B value="3833.1" />
+  <C value="-93.483" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="633.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.503" />
+  <B value="-0.069766" />
+  <C value="0.000057848" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="563.72" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34907" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.610035E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.6801" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.0397" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0463" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03031" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.50498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104957" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.2058" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.508" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23827.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104957" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-44-5" />
+<Smiles name="SMILES"  value="c1(O)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="138" />
+<CompoundID name="Name"  value="Methylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="572.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3471000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="146.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="146.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000152251" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12835" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.235" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.643E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07046" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.548E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.733E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6751000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.25714E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.429" />
+  <B value="-0.0085395" />
+  <Tmin units="K"  value="58.63" />
+  <Tmax units="K"  value="146.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54994" />
+  <B value="0.23476" />
+  <C value="572.19" />
+  <D value="0.25237" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.02524" />
+  <B value="-6720.084" />
+  <C value="-9.367446" />
+  <D value="6.892527E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3741E+07" />
+  <B value="0.65698" />
+  <C value="0.0050875" />
+  <D value="-0.53082" />
+  <E value="0.29149" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13069" />
+  <B value="1384.8" />
+  <C value="-9.1718" />
+  <D value="0.036062" />
+  <E value="-0.000031442" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="146.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121540" />
+  <B value="-7.0302" />
+  <C value="8.197" />
+  <D value="0.012761" />
+  <E value="-0.000010388" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82902" />
+  <B value="-804.58" />
+  <C value="13.697" />
+  <D value="-0.00042977" />
+  <E value="1.1051E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20875" />
+  <B value="-247.9" />
+  <C value="-33.881" />
+  <D value="-2750.8" />
+  <E value="4328.8" />
+  <Tmin units="K"  value="286" />
+  <Tmax units="K"  value="1828" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.411" />
+  <B value="1214.3" />
+  <C value="0.0090457" />
+  <D value="-0.0000000327" />
+  <E value="2" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="457.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.5256E-07" />
+  <B value="0.52942" />
+  <C value="310.39" />
+  <D value="23.825" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.035771" />
+  <B value="-249.64" />
+  <C value="0.10904" />
+  <D value="-0.0066567" />
+  <E value="0.0000013937" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="374.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074754" />
+  <B value="1.119" />
+  <C value="613.15" />
+  <D value="22882" />
+  <Tmin units="K"  value="374.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071052" />
+  <B value="37.192" />
+  <C value="-3.2268" />
+  <D value="0.0007377" />
+  <E value="-0.0000068537" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26174" />
+  <B value="153.3" />
+  <C value="1.1328" />
+  <D value="-0.0015625" />
+  <E value="6.1228E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.844" />
+  <B value="3088.6" />
+  <C value="-42.601" />
+  <Tmin units="K"  value="344.14" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.6248" />
+  <B value="-0.050338" />
+  <C value="0.000057219" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="457.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3709" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.492807E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.3914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2699" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.82199" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0497" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.772427" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12834" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.776" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000172" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.8218" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2421" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16016.26" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1283" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-87-2" />
+<Smiles name="SMILES"  value="C1CCCCC1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="107" />
+<CompoundID name="Name"  value="Ethylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="569.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3397000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.375" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="376.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.71" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.71" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.71437E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12883" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.27" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.734E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0704" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.269E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.48E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="378300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6869700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92806" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2839E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.431" />
+  <B value="-0.0092953" />
+  <Tmin units="K"  value="53.88" />
+  <Tmax units="K"  value="134.71" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72259" />
+  <B value="0.26996" />
+  <C value="569.5" />
+  <D value="0.2784" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.769" />
+  <B value="-7366.4" />
+  <C value="-11.099" />
+  <D value="0.0000081014" />
+  <E value="2" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="569.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.78221E+07" />
+  <B value="0.856257" />
+  <C value="-0.338119" />
+  <D value="-0.391894" />
+  <E value="0.299953" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12482" />
+  <B value="1503.5" />
+  <C value="-7.4405" />
+  <D value="0.0091338" />
+  <E value="0.000058554" />
+  <Tmin units="K"  value="12.14" />
+  <Tmax units="K"  value="126.86" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128880" />
+  <B value="403.43" />
+  <C value="3.1567" />
+  <D value="0.031507" />
+  <E value="-0.000033176" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="301.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61352" />
+  <B value="-623.48" />
+  <C value="13.275" />
+  <D value="-0.000068613" />
+  <E value="9.3089E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21463" />
+  <B value="-224.87" />
+  <C value="-41.025" />
+  <D value="-7128.8" />
+  <E value="10923" />
+  <Tmin units="K"  value="284.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.6105" />
+  <B value="709.69" />
+  <C value="-1.12" />
+  <D value="8.8328E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="378.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021783" />
+  <B value="0.38064" />
+  <C value="577.64" />
+  <D value="269.9" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.019932" />
+  <B value="6.51" />
+  <C value="-1.7114" />
+  <D value="-0.0004148" />
+  <E value="-0.0000019629" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="376.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0047981" />
+  <B value="0.52948" />
+  <C value="335.74" />
+  <D value="590020" />
+  <Tmin units="K"  value="376.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016425" />
+  <B value="10.598" />
+  <C value="-2.7862" />
+  <D value="-0.00069695" />
+  <E value="-0.0000029932" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="48615" />
+  <B value="-0.39909" />
+  <C value="1.4556" />
+  <D value="-0.0018703" />
+  <E value="0.0000007197" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3131.9" />
+  <C value="-44.732" />
+  <Tmin units="K"  value="343.06" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.4246" />
+  <B value="-0.029561" />
+  <C value="0.000030457" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="378.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.374" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.504581E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="329.2419" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.33548" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0503" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.769565" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2689" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.128749" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.69675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.271548" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16339.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.128749" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1640-89-7" />
+<Smiles name="SMILES"  value="C1(CC)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="234" />
+<CompoundID name="Name"  value="1-heptene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)4CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="537.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.409" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="366.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00186" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14177" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.343" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.083E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.046E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.289E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.482E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.264E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0461" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3499E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.448" />
+  <B value="-0.0076501" />
+  <Tmin units="K"  value="61.65" />
+  <Tmax units="K"  value="154.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26107" />
+  <B value="0.16952" />
+  <C value="537.3" />
+  <D value="0.1874" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="536.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.9184" />
+  <B value="-7605.67" />
+  <C value="-13.43227" />
+  <D value="0.0000123163" />
+  <E value="2" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="537.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.631368E+07" />
+  <B value="1.145386" />
+  <C value="-1.731438" />
+  <D value="1.615943" />
+  <E value="-0.650835" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="517.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5969.6" />
+  <B value="597.62" />
+  <C value="18.112" />
+  <D value="-0.2191" />
+  <E value="0.0007294" />
+  <Tmin units="K"  value="11.4" />
+  <Tmax units="K"  value="142.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58419" />
+  <B value="89.259" />
+  <C value="10.549" />
+  <D value="0.0039271" />
+  <E value="-8.6181E-07" />
+  <Tmin units="K"  value="151.79" />
+  <Tmax units="K"  value="430" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94067" />
+  <B value="-609.56" />
+  <C value="13.043" />
+  <D value="0.000046316" />
+  <E value="-2.1105E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20796" />
+  <B value="-241.14" />
+  <C value="-48.774" />
+  <D value="3433.8" />
+  <E value="-14358" />
+  <Tmin units="K"  value="255" />
+  <Tmax units="K"  value="1880.3" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.29" />
+  <B value="827.04" />
+  <C value="-0.087144" />
+  <D value="0.0000001052" />
+  <E value="2" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="429.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.4687E-08" />
+  <B value="0.81173" />
+  <C value="52.725" />
+  <D value="1460.7" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038053" />
+  <B value="-34.158" />
+  <C value="-1.0057" />
+  <D value="-0.0023353" />
+  <E value="-3.7702E-08" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000013676" />
+  <B value="1.341" />
+  <C value="365.19" />
+  <D value="6251.8" />
+  <Tmin units="K"  value="366.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010568" />
+  <B value="24.026" />
+  <C value="-3.0595" />
+  <D value="-0.0001793" />
+  <E value="-0.0000051634" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="517.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="62525" />
+  <B value="106.62" />
+  <C value="1.0534" />
+  <D value="-0.0014615" />
+  <E value="5.8492E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.78" />
+  <B value="2900.8" />
+  <C value="-53.334" />
+  <Tmin units="K"  value="324.12" />
+  <Tmax units="K"  value="476.88" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.0377" />
+  <B value="-0.035732" />
+  <C value="0.000041467" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="429.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.405616" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.755735E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="302.3922" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260462" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.60949" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0531" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.70084" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141709" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.9441" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.184" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006221" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2762" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15313.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141709" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-76-7" />
+<Smiles name="SMILES"  value="C=CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="17" />
+<CompoundID name="Name"  value="N-heptane" />
+<StructureFormula name="Structure"  value="CH3(CH2)5CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="371.57" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.57" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.182694" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14747" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.35" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.173E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07849" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.099E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8165000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427980" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.405E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00313" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.46473E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1435" />
+  <B value="-0.0028756" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="182.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57043" />
+  <B value="0.25304" />
+  <C value="540.2" />
+  <D value="0.27335" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.80457" />
+  <B value="-7084.845" />
+  <C value="-10.17918" />
+  <D value="7.441708E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.275764E+07" />
+  <B value="-1.051245" />
+  <C value="4.601706" />
+  <D value="-5.558946" />
+  <E value="2.369496" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20510" />
+  <B value="1728.5" />
+  <C value="-6.4728" />
+  <D value="-0.0018307" />
+  <E value="0.000070938" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="182.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134750" />
+  <B value="14.937" />
+  <C value="10.603" />
+  <D value="0.001438" />
+  <E value="0.0000036711" />
+  <Tmin units="K"  value="182.55" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109310" />
+  <B value="-704.2" />
+  <C value="13.352" />
+  <D value="-0.00017922" />
+  <E value="4.6992E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23983" />
+  <B value="-244.66" />
+  <C value="-54.176" />
+  <D value="2830.8" />
+  <E value="-15702" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-61.08861" />
+  <B value="2532.297" />
+  <C value="8.091665" />
+  <D value="-0.0000152585" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="432.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.6134E-08" />
+  <B value="0.948" />
+  <C value="-37.497" />
+  <D value="9005.3" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.083657" />
+  <B value="49.111" />
+  <C value="-3.4536" />
+  <D value="0.0077989" />
+  <E value="-0.000025112" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.076333" />
+  <B value="0.38025" />
+  <C value="-7539.9" />
+  <D value="-2646800" />
+  <Tmin units="K"  value="339.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007741" />
+  <B value="65.405" />
+  <C value="-3.6478" />
+  <D value="0.001894" />
+  <E value="-0.0000081692" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="80102" />
+  <B value="34.555" />
+  <C value="1.2882" />
+  <D value="-0.0016684" />
+  <E value="6.4603E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.995" />
+  <B value="3044.2" />
+  <C value="-50.149" />
+  <Tmin units="K"  value="324.35" />
+  <Tmax units="K"  value="483.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.018303" />
+  <B value="-0.039206" />
+  <C value="0.000043234" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="432.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.43044" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.048406E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="280.139" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2611" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0549" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.686815" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35069" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147014" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1742" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003031" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3403" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1475" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-82-5" />
+<Smiles name="SMILES"  value="CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="601" />
+<CompoundID name="Name"  value="Styrene" />
+<StructureFormula name="Structure"  value="(C6H5)CHCH2" />
+<Family name="Family"  value="18" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="636" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.352" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="418.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.54" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.54" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.6132" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.149" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115667" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297097" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.81E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.33E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06625" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.474E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.139E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="345100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.095E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93739" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.219E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7167" />
+  <B value="-9.6333E-09" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="102.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57789" />
+  <B value="0.23139" />
+  <C value="640.77" />
+  <D value="0.26351" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="640.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="399.8489" />
+  <B value="-19017.34" />
+  <C value="-58.96286" />
+  <D value="0.0000747957" />
+  <E value="2" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="636" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.110621E+08" />
+  <B value="3.429275" />
+  <C value="-6.061051" />
+  <D value="4.605581" />
+  <E value="-1.408226" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="615.29" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19432" />
+  <B value="1905.5" />
+  <C value="-18.713" />
+  <D value="0.095712" />
+  <E value="-0.00015273" />
+  <Tmin units="K"  value="15.28" />
+  <Tmax units="K"  value="240.03" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134310" />
+  <B value="-99.916" />
+  <C value="9.4935" />
+  <D value="0.0058294" />
+  <E value="-0.0000013972" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57806.72" />
+  <B value="-550.4249" />
+  <C value="12.95376" />
+  <D value="-0.0000950882" />
+  <E value="2.294759E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21818" />
+  <B value="-307.77" />
+  <C value="-59.025" />
+  <D value="55700" />
+  <E value="-203800" />
+  <Tmin units="K"  value="324" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.717" />
+  <B value="1824" />
+  <C value="1.9977" />
+  <D value="-4.7933E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6968E-08" />
+  <B value="0.90482" />
+  <C value="-32.023" />
+  <D value="10027" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.071817" />
+  <B value="-30.013" />
+  <C value="-1.0262" />
+  <D value="-0.0015623" />
+  <E value="2.7674E-07" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="598.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.010229" />
+  <B value="0.40085" />
+  <C value="535.56" />
+  <D value="704200" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.014356" />
+  <B value="-415.6" />
+  <C value="0.14176" />
+  <D value="-0.011441" />
+  <E value="0.0000063214" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="418.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36913.76" />
+  <B value="665.256" />
+  <C value="-0.485051" />
+  <D value="0.000140879" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.888" />
+  <B value="3339.6" />
+  <C value="-61.724" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="553.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.77036" />
+  <B value="-0.039418" />
+  <C value="0.000042054" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34819" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.758825E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="307.6339" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0621" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.909306" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24199" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115667" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.37" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.3" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.3" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01967" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19015.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115667" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-42-5" />
+<Smiles name="SMILES"  value="C=Cc1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="504" />
+<CompoundID name="Name"  value="Ethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3609000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.374" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="409.36" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00390778" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12308" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.897E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06974" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.8E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.992E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.3073E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360630" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9180300" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0026" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3448E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.465" />
+  <B value="-0.007103" />
+  <Tmin units="K"  value="71.28" />
+  <Tmax units="K"  value="178.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66155" />
+  <B value="0.25394" />
+  <C value="617.21" />
+  <D value="0.27883" />
+  <Tmin units="K"  value="163.1" />
+  <Tmax units="K"  value="617.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.5088" />
+  <B value="-9745.069" />
+  <C value="-17.34457" />
+  <D value="0.0000127987" />
+  <E value="2" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="617.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.990732E+07" />
+  <B value="0.380483" />
+  <C value="1.094304" />
+  <D value="-2.185536" />
+  <E value="1.1369" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="594.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8883.6" />
+  <B value="1417.5" />
+  <C value="-10.145" />
+  <D value="0.048416" />
+  <E value="-0.000088579" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="178.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131820" />
+  <B value="-90.983" />
+  <C value="10.031" />
+  <D value="0.0026504" />
+  <E value="0.0000033965" />
+  <Tmin units="K"  value="178.17" />
+  <Tmax units="K"  value="409.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65434" />
+  <B value="-619.34" />
+  <C value="13.166" />
+  <D value="-0.00016412" />
+  <E value="4.1529E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23456" />
+  <B value="-304.77" />
+  <C value="-54.496" />
+  <D value="-5921.9" />
+  <E value="-7767.5" />
+  <Tmin units="K"  value="307" />
+  <Tmax units="K"  value="1967" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.506" />
+  <B value="1237.2" />
+  <C value="0.52859" />
+  <D value="-9.1363E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000016833" />
+  <B value="0.39831" />
+  <C value="366.45" />
+  <D value="23750" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.026087" />
+  <B value="13.301" />
+  <C value="-1.6623" />
+  <D value="-0.00027844" />
+  <E value="-0.0000018214" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015932" />
+  <B value="1.3226" />
+  <C value="486.47" />
+  <D value="14367" />
+  <Tmin units="K"  value="409.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012337" />
+  <B value="28.706" />
+  <C value="-2.9284" />
+  <D value="-0.0000060499" />
+  <E value="-0.0000040717" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="594.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37781" />
+  <B value="87.95" />
+  <C value="1.1344" />
+  <D value="-0.0016027" />
+  <E value="0.0000006556" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197605" />
+  <B value="-1500" />
+  <C value="-9" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.113" />
+  <B value="3424.2" />
+  <C value="-52.199" />
+  <Tmin units="K"  value="370.3" />
+  <Tmax units="K"  value="554.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0993" />
+  <B value="-0.043006" />
+  <C value="0.000049165" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3702" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.677111E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328.9612" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58093" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0504" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.870033" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3048" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.122763" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.51" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004227" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2097" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2936" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17979.95" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1231" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-41-4" />
+<Smiles name="SMILES"  value="c1ccccc1(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="506" />
+<CompoundID name="Name"  value="M-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3541000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.375" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="412.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="225.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="225.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.18019" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.327" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.937E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.732E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.1876E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="358540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.157E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0367" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3318E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9327" />
+  <B value="0.00073817" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="225.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68902" />
+  <B value="0.26086" />
+  <C value="617" />
+  <D value="0.27479" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.968" />
+  <B value="-8164.7" />
+  <C value="-11.269" />
+  <D value="0.0000072101" />
+  <E value="2" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9562E+07" />
+  <B value="0.67841" />
+  <C value="-0.38938" />
+  <D value="0.0061115" />
+  <E value="0.10219" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25435" />
+  <B value="2467.9" />
+  <C value="-25.474" />
+  <D value="0.12997" />
+  <E value="-0.0002333" />
+  <Tmin units="K"  value="14.62" />
+  <Tmax units="K"  value="225.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127090" />
+  <B value="-62.999" />
+  <C value="9.3762" />
+  <D value="0.0068549" />
+  <E value="-0.0000032778" />
+  <Tmin units="K"  value="217" />
+  <Tmax units="K"  value="540.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62092" />
+  <B value="-572.21" />
+  <C value="12.975" />
+  <D value="0.000062577" />
+  <E value="-3.7811E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.04628" />
+  <B value="237.59" />
+  <C value="-144.13" />
+  <D value="5318.3" />
+  <E value="-22675" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.362" />
+  <B value="1141.4" />
+  <C value="0.37182" />
+  <D value="-3.9423E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2954E-08" />
+  <B value="0.8097" />
+  <C value="14.386" />
+  <D value="8844.3" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021158" />
+  <B value="-27.324" />
+  <C value="-1.2663" />
+  <D value="-0.0016664" />
+  <E value="-3.6744E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.8001E-09" />
+  <B value="2.4298" />
+  <C value="-575.12" />
+  <D value="122260" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081275" />
+  <B value="86.069" />
+  <C value="-3.5983" />
+  <D value="0.0020602" />
+  <E value="-0.0000069588" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33275" />
+  <B value="145.81" />
+  <C value="0.8805" />
+  <D value="-0.0012502" />
+  <E value="4.9953E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.301" />
+  <B value="3581.9" />
+  <C value="-45.994" />
+  <Tmin units="K"  value="371" />
+  <Tmax units="K"  value="555.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.65909" />
+  <B value="-0.033111" />
+  <C value="0.000034785" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.37312" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.807103E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.2272" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2593" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55541" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0502" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866882" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32699" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123391" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005645" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.002" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3045" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18041.31" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1235" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-38-3" />
+<Smiles name="SMILES"  value="c1(C)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="505" />
+<CompoundID name="Name"  value="O-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="630.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3732000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.98" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21.842" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.312" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.836E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.908E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.22E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="353830" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.36E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03316" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.333E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.582" />
+  <B value="-0.0039991" />
+  <Tmin units="K"  value="203.1" />
+  <Tmax units="K"  value="248" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69962" />
+  <B value="0.26143" />
+  <C value="630.3" />
+  <D value="0.27365" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="630.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.08217" />
+  <B value="-7844.793" />
+  <C value="-9.738423" />
+  <D value="5.713756E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="630.33" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6979E+07" />
+  <B value="1.259" />
+  <C value="-1.849" />
+  <D value="1.5198" />
+  <E value="-0.50455" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="612" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12409" />
+  <B value="1322.1" />
+  <C value="-6.4842" />
+  <D value="0.018683" />
+  <E value="-0.000013938" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="247.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134490" />
+  <B value="-170.61" />
+  <C value="10.247" />
+  <D value="0.0049096" />
+  <E value="-0.0000031727" />
+  <Tmin units="K"  value="247.8" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73986" />
+  <B value="-589.13" />
+  <C value="12.936" />
+  <D value="0.000080122" />
+  <E value="-4.5074E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18068" />
+  <B value="-139.72" />
+  <C value="-79.094" />
+  <D value="-34596" />
+  <E value="63013" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.059" />
+  <B value="1251.7" />
+  <C value="-0.076438" />
+  <D value="0.000001254" />
+  <E value="2" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="418.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.783E-08" />
+  <B value="0.82039" />
+  <C value="-1.2715" />
+  <D value="13072" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.018751" />
+  <B value="-22.77" />
+  <C value="-1.3391" />
+  <D value="-0.0014281" />
+  <E value="-6.1692E-07" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="417.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000059387" />
+  <B value="1.356" />
+  <C value="-206" />
+  <D value="65058" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011942" />
+  <B value="49.212" />
+  <C value="-3.1236" />
+  <D value="0.00059647" />
+  <E value="-0.0000045152" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="610.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27346" />
+  <B value="283.89" />
+  <C value="0.41481" />
+  <D value="-0.00069301" />
+  <E value="2.7754E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.955809" />
+  <B value="-1300" />
+  <C value="-7.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.286" />
+  <B value="3609.8" />
+  <C value="-47.763" />
+  <Tmin units="K"  value="381.4" />
+  <Tmax units="K"  value="563.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.10974" />
+  <B value="-0.03518" />
+  <C value="0.000036077" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="418.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36733" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.653221E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="335.9706" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2633" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66585" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.05" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.883145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3118" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121145" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006569" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1646" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2904" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18389.04" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1212" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-47-6" />
+<Smiles name="SMILES"  value="c1(C)ccccc1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="507" />
+<CompoundID name="Name"  value="P-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="616.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3511000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="286.41" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="286.41" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="575.533" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12393" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.322" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.831E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.803E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.214E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352165" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.711E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0563" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.333E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.9" />
+  <B value="-0.021882" />
+  <Tmin units="K"  value="273.25" />
+  <Tmax units="K"  value="286.41" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67752" />
+  <B value="0.25887" />
+  <C value="616.2" />
+  <D value="0.27596" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="616.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.352" />
+  <B value="-8082.1" />
+  <C value="-11.197" />
+  <D value="0.0000072605" />
+  <E value="2" />
+  <Tmin units="K"  value="282.99" />
+  <Tmax units="K"  value="616.23" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6332E+07" />
+  <B value="0.37965" />
+  <C value="0.42395" />
+  <D value="-0.85683" />
+  <E value="0.43704" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="616.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19759" />
+  <B value="1635.7" />
+  <C value="-9.6261" />
+  <D value="0.031794" />
+  <E value="-0.000036966" />
+  <Tmin units="K"  value="19.11" />
+  <Tmax units="K"  value="286.41" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63084" />
+  <B value="-343.38" />
+  <C value="13.438" />
+  <D value="-0.0033851" />
+  <E value="0.0000045592" />
+  <Tmin units="K"  value="286.4" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62397" />
+  <B value="-585.6" />
+  <C value="13.025" />
+  <D value="0.0000037921" />
+  <E value="-1.7044E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.06505" />
+  <B value="248.78" />
+  <C value="-160.39" />
+  <D value="115610" />
+  <E value="-382400" />
+  <Tmin units="K"  value="338.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-23.916" />
+  <B value="1499.8" />
+  <C value="2.0719" />
+  <D value="-0.0000037065" />
+  <E value="2" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4281E-08" />
+  <B value="0.95421" />
+  <C value="-91.329" />
+  <D value="17547" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00066881" />
+  <B value="-122.94" />
+  <C value="-0.60875" />
+  <D value="-0.0037322" />
+  <E value="9.7446E-07" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000001261" />
+  <B value="1.8916" />
+  <C value="-453.43" />
+  <D value="111720" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080188" />
+  <B value="66.097" />
+  <C value="-3.4878" />
+  <D value="0.0018353" />
+  <E value="-0.0000068516" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="616.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34197" />
+  <B value="123.96" />
+  <C value="0.98194" />
+  <D value="-0.0013905" />
+  <E value="5.6006E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.717467" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.116" />
+  <B value="3447.8" />
+  <C value="-51.968" />
+  <Tmin units="K"  value="370.2" />
+  <Tmax units="K"  value="553" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8388" />
+  <B value="-0.025762" />
+  <C value="0.000023732" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.374" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.825207E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.8236" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.89953" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0503" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864229" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32159" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123921" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.010556" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7717" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2969" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17939.04" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-42-3" />
+<Smiles name="SMILES"  value="c1(C)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="140" />
+<CompoundID name="Name"  value="Ethylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.43" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.945" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.839" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.839" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000357389" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.143036" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245525" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.932E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16340" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08069" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.715E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.955E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8334100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82185" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.87051E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.986" />
+  <B value="-0.0068877" />
+  <Tmin units="K"  value="64.74" />
+  <Tmax units="K"  value="161.84" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61774" />
+  <B value="0.26525" />
+  <C value="609.15" />
+  <D value="0.28064" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.60435" />
+  <B value="-7221.846" />
+  <C value="-8.661516" />
+  <D value="4.619539E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1066E+07" />
+  <B value="1.1095" />
+  <C value="-1.6401" />
+  <D value="1.5232" />
+  <E value="-0.54256" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13926" />
+  <B value="1604.5" />
+  <C value="-10.433" />
+  <D value="0.036407" />
+  <E value="-0.000012874" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="156" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106540" />
+  <B value="50.724" />
+  <C value="9.3758" />
+  <D value="0.0085193" />
+  <E value="-0.0000058679" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="404.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99579" />
+  <B value="-799.66" />
+  <C value="13.811" />
+  <D value="-0.00043634" />
+  <E value="1.1487E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24249" />
+  <B value="-292.83" />
+  <C value="-55.328" />
+  <D value="-12007" />
+  <E value="19757" />
+  <Tmin units="K"  value="304.57" />
+  <Tmax units="K"  value="1948.58" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.531" />
+  <B value="1686" />
+  <C value="1.7093" />
+  <D value="-0.0000001282" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.2871E-07" />
+  <B value="0.57053" />
+  <C value="258.88" />
+  <D value="-2237.2" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040212" />
+  <B value="3.9673" />
+  <C value="-1.6044" />
+  <D value="-0.00049691" />
+  <E value="-0.0000012623" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062751" />
+  <B value="1.1219" />
+  <C value="488.85" />
+  <D value="45648" />
+  <Tmin units="K"  value="404.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007744" />
+  <B value="40.259" />
+  <C value="-3.2447" />
+  <D value="0.0006801" />
+  <E value="-0.0000057319" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60082.24" />
+  <B value="864.6654" />
+  <C value="-0.464047" />
+  <D value="0.0000830984" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.544" />
+  <B value="3077.4" />
+  <C value="-63.681" />
+  <Tmin units="K"  value="367.48" />
+  <Tmax units="K"  value="538.52" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2715" />
+  <B value="-0.048749" />
+  <C value="0.000057505" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42269" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.157986E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.0179" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.20684" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0564" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.790679" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24966" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143117" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3944" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.316" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.03518" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2426" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143117" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-91-7" />
+<Smiles name="SMILES"  value="C1CCCCC1(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="114" />
+<CompoundID name="Name"  value="N-propylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="596" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="155.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="155.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000458874" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145193" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.326642" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.135E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08062" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.481E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.344E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.003E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.89356E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.906" />
+  <B value="-0.0070521" />
+  <Tmin units="K"  value="62.32" />
+  <Tmax units="K"  value="155.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63061" />
+  <B value="0.26934" />
+  <C value="596" />
+  <D value="0.28169" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.39512" />
+  <B value="-7846.538" />
+  <C value="-10.93845" />
+  <D value="7.332031E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="596" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.088104E+07" />
+  <B value="1.477689" />
+  <C value="-1.919309" />
+  <D value="1.219865" />
+  <E value="-0.332624" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21119" />
+  <B value="1855.5" />
+  <C value="-9.5485" />
+  <D value="0.012148" />
+  <E value="0.000065366" />
+  <Tmin units="K"  value="20.68" />
+  <Tmax units="K"  value="155.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121270" />
+  <B value="281.76" />
+  <C value="6.7151" />
+  <D value="0.017545" />
+  <E value="-0.000016082" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82387" />
+  <B value="-676.01" />
+  <C value="13.514" />
+  <D value="-0.00019546" />
+  <E value="4.9854E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2479" />
+  <B value="-262.92" />
+  <C value="-60.711" />
+  <D value="-16273" />
+  <E value="25758" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.725" />
+  <B value="1601.8" />
+  <C value="1.7512" />
+  <D value="2.3108E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000028167" />
+  <B value="0.32978" />
+  <C value="562.31" />
+  <D value="4948.1" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.033741" />
+  <B value="2.5308" />
+  <C value="-1.6237" />
+  <D value="-0.00058186" />
+  <E value="-0.0000013118" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000098309" />
+  <B value="1.0636" />
+  <C value="611.41" />
+  <D value="33175" />
+  <Tmin units="K"  value="404.11" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014846" />
+  <B value="15.619" />
+  <C value="-2.8681" />
+  <D value="-0.00048241" />
+  <E value="-0.0000031204" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-64605.14" />
+  <B value="897.217" />
+  <C value="-0.586513" />
+  <D value="0.000162009" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.961" />
+  <B value="3302.2" />
+  <C value="-54.096" />
+  <Tmin units="K"  value="358.15" />
+  <Tmax units="K"  value="526.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.393" />
+  <B value="-0.045558" />
+  <C value="0.000054398" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.43959" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.048406E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="309.076" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0573" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.779333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34698" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145193" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3944" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.316" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.012036" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.27189" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16393.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145193" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="12"  value="1" />
+  <group id="13"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2040-96-2" />
+<Smiles name="SMILES"  value="C1CCCC1(CCC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="27" />
+<CompoundID name="Name"  value="N-octane" />
+<StructureFormula name="Structure"  value="CH3(CH2)6CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.492" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="398.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.1083" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16353" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.397" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.546E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08872" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.234E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0875E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="467230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.074E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99752" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07415E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.3409" />
+  <B value="-0.0031515" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="216.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4436" />
+  <B value="0.23818" />
+  <C value="568.77" />
+  <D value="0.25171" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.46069" />
+  <B value="-7578.199" />
+  <C value="-9.657211" />
+  <D value="5.664818E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="568.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.509104E+07" />
+  <B value="0.906328" />
+  <C value="-0.61829" />
+  <D value="0.0251605" />
+  <E value="0.114898" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23993" />
+  <B value="1947.3" />
+  <C value="-8.5369" />
+  <D value="0.013403" />
+  <E value="0.000020934" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="216.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="184080" />
+  <B value="362.58" />
+  <C value="6.1268" />
+  <D value="0.015908" />
+  <E value="-0.000010697" />
+  <Tmin units="K"  value="216.37" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123360" />
+  <B value="-700.1" />
+  <C value="13.486" />
+  <D value="-0.00019118" />
+  <E value="4.5401E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22234" />
+  <B value="-247.06" />
+  <C value="-83.099" />
+  <D value="9339.9" />
+  <E value="-40370" />
+  <Tmin units="K"  value="256" />
+  <Tmax units="K"  value="1990.66" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-67.06275" />
+  <B value="2937.699" />
+  <C value="8.939458" />
+  <D value="-0.0000146474" />
+  <E value="2" />
+  <Tmin units="K"  value="211.15" />
+  <Tmax units="K"  value="454.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2215E-09" />
+  <B value="1.1166" />
+  <C value="-127.08" />
+  <D value="17623" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03316" />
+  <B value="17.841" />
+  <C value="-1.6367" />
+  <D value="-0.000047737" />
+  <E value="-0.0000026501" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="398.83" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-8968.5" />
+  <B value="0.84408" />
+  <C value="-2.7564E+10" />
+  <D value="-6.5097E+10" />
+  <Tmin units="K"  value="339" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010282" />
+  <B value="15.557" />
+  <C value="-3.0383" />
+  <D value="-0.00026764" />
+  <E value="-0.0000044265" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="89996" />
+  <B value="41.431" />
+  <C value="1.4759" />
+  <D value="-0.0019237" />
+  <E value="7.4664E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.909" />
+  <B value="3157.8" />
+  <C value="-62.156" />
+  <Tmin units="K"  value="344.31" />
+  <Tmax units="K"  value="510.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.23434" />
+  <B value="-0.034984" />
+  <C value="0.000035201" />
+  <Tmin units="K"  value="211.15" />
+  <Tmax units="K"  value="454.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.49042" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.452013E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.8637" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2567" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.58036" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.062" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.705377" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.163455" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8486" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.936" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="4.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000821" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.2075" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3992" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15445.57" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.163455" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-65-9" />
+<Smiles name="SMILES"  value="CCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="40" />
+<CompoundID name="Name"  value="2,2,3-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.89" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0021759" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16043" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.298" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.913E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14690" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1995E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.7726E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="423880" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8619000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99028" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06754E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9338" />
+  <B value="-0.0061647" />
+  <Tmin units="K"  value="64.36" />
+  <Tmax units="K"  value="160.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53892" />
+  <B value="0.263" />
+  <C value="563.51" />
+  <D value="0.24185" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="563.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.50671" />
+  <B value="-7031.238" />
+  <C value="-9.863302" />
+  <D value="7.128886E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="563.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.030131E+07" />
+  <B value="1.053957" />
+  <C value="-0.826185" />
+  <D value="0.00124096" />
+  <E value="0.214352" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="542.31" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="170570" />
+  <B value="-194.18" />
+  <C value="8.4382" />
+  <D value="0.017272" />
+  <E value="-0.000019404" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45546" />
+  <B value="-344.09" />
+  <C value="12.853" />
+  <D value="0.00059243" />
+  <E value="-1.8071E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26813" />
+  <B value="-335.1" />
+  <C value="-52.252" />
+  <D value="-7705.4" />
+  <E value="11664" />
+  <Tmin units="K"  value="281.75" />
+  <Tmax units="K"  value="1800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9806" />
+  <B value="1118.5" />
+  <C value="-0.42179" />
+  <D value="0.000001606" />
+  <E value="2" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6777E-07" />
+  <B value="0.5509" />
+  <C value="223.7" />
+  <D value="10.797" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050146" />
+  <B value="3.605" />
+  <C value="-1.5994" />
+  <D value="-0.00051269" />
+  <E value="-0.0000013443" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016836" />
+  <B value="1.25" />
+  <C value="-167.06" />
+  <D value="132290" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015221" />
+  <B value="12.964" />
+  <C value="-2.9325" />
+  <D value="-0.00061856" />
+  <E value="-0.000002993" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="542.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-37332" />
+  <B value="898.15" />
+  <C value="-0.53928" />
+  <D value="0.00011981" />
+  <E value="1.1807E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.851" />
+  <B value="3143.8" />
+  <C value="-45.907" />
+  <Tmin units="K"  value="340.92" />
+  <Tmax units="K"  value="504.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.8115" />
+  <B value="-0.055178" />
+  <C value="0.000068762" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.4679" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.327233E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.9302" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.5705" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.718651" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.29649" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.160344" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001434" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2584" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2975" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14768.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.160344" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="564-02-3" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="41" />
+<CompoundID name="Name"  value="2,2,4-trimethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)3CCH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="543.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4697" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.777" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.777" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0170695" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16607" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.091E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14080" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2401E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.394E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9196000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97675" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.773" />
+  <B value="-0.0058781" />
+  <Tmin units="K"  value="66.31" />
+  <Tmax units="K"  value="165.78" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48523" />
+  <B value="0.24924" />
+  <C value="543.9" />
+  <D value="0.25602" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.89" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.71044" />
+  <B value="-6701.601" />
+  <C value="-9.312194" />
+  <D value="6.808451E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.89" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.633E+07" />
+  <B value="0.37451" />
+  <C value="-0.066775" />
+  <D value="-0.010135" />
+  <E value="0.080832" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3861.3" />
+  <B value="1005.9" />
+  <C value="-1.0592" />
+  <D value="0.0042173" />
+  <E value="-0.0000083422" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="165.79" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="159470" />
+  <B value="-380.54" />
+  <C value="12.372" />
+  <D value="-0.00044236" />
+  <E value="0.0000034887" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84635" />
+  <B value="-470.35" />
+  <C value="13.011" />
+  <D value="0.00041124" />
+  <E value="-1.2926E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26688" />
+  <B value="-321.67" />
+  <C value="-47.437" />
+  <D value="-5317.2" />
+  <E value="7275.9" />
+  <Tmin units="K"  value="271.9" />
+  <Tmax units="K"  value="1771" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.241" />
+  <B value="1365.6" />
+  <C value="1.8379" />
+  <D value="-0.0000051189" />
+  <E value="2" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="541.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9933E-07" />
+  <B value="0.67222" />
+  <C value="163.02" />
+  <D value="-5306.3" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.044744" />
+  <B value="-42.414" />
+  <C value="-1.7361" />
+  <D value="-0.0023225" />
+  <E value="-0.0000040597" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="372.39" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000011401" />
+  <B value="1.3632" />
+  <C value="286.23" />
+  <D value="6065.2" />
+  <Tmin units="K"  value="355.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097592" />
+  <B value="31.944" />
+  <C value="-3.3103" />
+  <D value="0.0003744" />
+  <E value="-0.0000053994" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3192.8" />
+  <B value="640.7" />
+  <C value="0.055291" />
+  <D value="-0.0004627" />
+  <E value="2.1776E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.714" />
+  <B value="2972" />
+  <C value="-48.851" />
+  <Tmin units="K"  value="327.85" />
+  <Tmax units="K"  value="488.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.727" />
+  <B value="-0.025461" />
+  <C value="0.000019917" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="541.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.47894" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.106578E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="301.9995" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.38564" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0608" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.694955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3045" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.165452" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004045" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.82187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3033" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14050.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.165452" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="540-84-1" />
+<Smiles name="SMILES"  value="CC(C)(C)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="42" />
+<CompoundID name="Name"  value="2,3,3-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="573.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="172.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0168197" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15815" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.291" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.96E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1845E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.828E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="857720" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91681" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06876E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9997" />
+  <B value="-0.0058029" />
+  <Tmin units="K"  value="68.89" />
+  <Tmax units="K"  value="172.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56592" />
+  <B value="0.26622" />
+  <C value="573.5" />
+  <D value="0.26429" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.87517" />
+  <B value="-6894.749" />
+  <C value="-9.15013" />
+  <D value="6.430758E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.838161E+07" />
+  <B value="1.059379" />
+  <C value="-1.234692" />
+  <D value="0.816701" />
+  <E value="-0.225175" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="217000" />
+  <B value="82.075" />
+  <C value="1.8853" />
+  <D value="0.036678" />
+  <E value="-0.000031911" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48585" />
+  <B value="-365.95" />
+  <C value="12.926" />
+  <D value="0.00051631" />
+  <E value="-1.5846E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26872" />
+  <B value="-341.85" />
+  <C value="-55.056" />
+  <D value="-7881.5" />
+  <E value="10783" />
+  <Tmin units="K"  value="286.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.941" />
+  <B value="1191.2" />
+  <C value="-0.045562" />
+  <D value="-0.0000023087" />
+  <E value="2" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="452.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.2493E-07" />
+  <B value="0.49302" />
+  <C value="371.93" />
+  <D value="-89.774" />
+  <Tmin units="K"  value="387.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040193" />
+  <B value="3.6823" />
+  <C value="-1.645" />
+  <D value="-0.00052834" />
+  <E value="-0.0000014091" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="387.91" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018829" />
+  <B value="1.2378" />
+  <C value="-181.1" />
+  <D value="146480" />
+  <Tmin units="K"  value="387.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01117" />
+  <B value="27.611" />
+  <C value="-3.1709" />
+  <D value="0.00013513" />
+  <E value="-0.0000044446" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-47609" />
+  <B value="980.6" />
+  <C value="-0.74331" />
+  <D value="0.00033358" />
+  <E value="-6.7846E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.868" />
+  <B value="3199.9" />
+  <C value="-45.369" />
+  <Tmin units="K"  value="345.13" />
+  <Tmax units="K"  value="513.19" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.0041" />
+  <B value="-0.04624" />
+  <C value="0.000049116" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="452.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.46322" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.938163E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.5544" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0601" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.729041" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28889" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.158155" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003849" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2903" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14919.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.158155" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="560-21-4" />
+<Smiles name="SMILES"  value="CC(C)C(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="43" />
+<CompoundID name="Name"  value="2,3,4-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH3)CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="566.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4562" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="386.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="163.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="163.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00303425" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15974" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.316" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.061E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.231E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1732E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="428400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9267560" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0137" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06943E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9934" />
+  <B value="-0.006099" />
+  <Tmin units="K"  value="65.58" />
+  <Tmax units="K"  value="163.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44061" />
+  <B value="0.23657" />
+  <C value="566.41" />
+  <D value="0.23009" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.41936" />
+  <B value="-6957.084" />
+  <C value="-9.207327" />
+  <D value="0.0000063783" />
+  <E value="2" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="566.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6943E+07" />
+  <B value="0.86512" />
+  <C value="-0.77048" />
+  <D value="0.30586" />
+  <E value="0.021601" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="545.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39.715" />
+  <B value="1634.5" />
+  <C value="-9.2594" />
+  <D value="0.036339" />
+  <E value="-0.000053437" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="169.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108880" />
+  <B value="-13.14" />
+  <C value="10.55" />
+  <D value="0.00536" />
+  <E value="-0.0000028819" />
+  <Tmin units="K"  value="163.63" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="26624" />
+  <B value="-291.65" />
+  <C value="12.829" />
+  <D value="0.00059553" />
+  <E value="-0.0000001821" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27457" />
+  <B value="-374.14" />
+  <C value="-48.597" />
+  <D value="-10331" />
+  <E value="20216" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="1807.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.3467" />
+  <B value="935.74" />
+  <C value="-0.76144" />
+  <D value="7.5545E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="443.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7868E-07" />
+  <B value="0.51422" />
+  <C value="325.4" />
+  <D value="22.347" />
+  <Tmin units="K"  value="386.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.048086" />
+  <B value="3.7835" />
+  <C value="-1.6094" />
+  <D value="-0.00050636" />
+  <E value="-0.0000013704" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="386.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000017892" />
+  <B value="1.241" />
+  <C value="-169.67" />
+  <D value="132780" />
+  <Tmin units="K"  value="386.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013874" />
+  <B value="14.819" />
+  <C value="-2.967" />
+  <D value="-0.00050079" />
+  <E value="-0.0000033582" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="545.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9210.924" />
+  <B value="785.5524" />
+  <C value="-0.439805" />
+  <D value="0.0000969271" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.9" />
+  <B value="3174.1" />
+  <C value="-48.02" />
+  <Tmin units="K"  value="340.98" />
+  <Tmax units="K"  value="505.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.1859" />
+  <B value="-0.043813" />
+  <C value="0.0000493" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="443.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.46889" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.006212E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="318.7133" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.48909" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0602" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.721958" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31439" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159513" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004313" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.96638" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316137" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14934.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159513" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="565-75-3" />
+<Smiles name="SMILES"  value="CC(C)C(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1204" />
+<CompoundID name="Name"  value="Tetraethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2(CH2OCH2)3CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="795" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.564" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="602.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000138348" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="194.226" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.172862" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.917442" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.602E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23690" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.08E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10902" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.552E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.83E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.599E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="650100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.66E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3431E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4822" />
+  <B value="-0.0031101" />
+  <Tmin units="K"  value="107.26" />
+  <Tmax units="K"  value="268.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46229" />
+  <B value="0.26105" />
+  <C value="795" />
+  <D value="0.27055" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.7938" />
+  <B value="-15323.17" />
+  <C value="-10.86107" />
+  <D value="-5.284752E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.282157E+08" />
+  <B value="0.159236" />
+  <C value="1.504015" />
+  <D value="-1.941373" />
+  <E value="0.658104" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9682.3" />
+  <B value="1222.8" />
+  <C value="-2.3781" />
+  <D value="0.0060594" />
+  <E value="-0.000006823" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180650" />
+  <B value="-180.95" />
+  <C value="12.547" />
+  <D value="0.0020505" />
+  <E value="-0.0000018444" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="600.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122630" />
+  <B value="-416.14" />
+  <C value="13.02" />
+  <D value="0.00050957" />
+  <E value="-2.1012E-07" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.56254" />
+  <B value="-662.06" />
+  <C value="-258.7" />
+  <D value="201090" />
+  <E value="-5319300" />
+  <Tmin units="K"  value="397.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-702.8128" />
+  <B value="30403.47" />
+  <C value="106.7279" />
+  <D value="-0.000116388" />
+  <E value="2" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="636" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.6872E-08" />
+  <B value="0.801" />
+  <C value="119.91" />
+  <D value="0.29361" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11138" />
+  <B value="-134.47" />
+  <C value="-0.46393" />
+  <D value="-0.00084854" />
+  <E value="-4.1141E-07" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="602.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016749" />
+  <B value="0.91863" />
+  <C value="699.93" />
+  <D value="16777" />
+  <Tmin units="K"  value="602.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015451" />
+  <B value="194.65" />
+  <C value="-3.9184" />
+  <D value="0.0029026" />
+  <E value="-0.0000044511" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17162" />
+  <B value="938.31" />
+  <C value="-0.55677" />
+  <D value="0.00012535" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.098" />
+  <B value="4853.6" />
+  <C value="-143.25" />
+  <Tmin units="K"  value="477.43" />
+  <Tmax units="K"  value="711.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.586" />
+  <B value="-0.059489" />
+  <C value="0.00004594" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="636" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.83332" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.434827E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="226.5127" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="199.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0807" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.13028" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.7224" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.173363" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.1269" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.440001" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.930639" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23571.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.173363" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="26"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  <group id="14"  value="2" />
+  <group id="28"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="21"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="26"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="14"  value="2" />
+  <group id="25"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-60-7" />
+<Smiles name="SMILES"  value="OCCOCCOCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="803" />
+<CompoundID name="Name"  value="Indene" />
+<StructureFormula name="Structure"  value="C6H4(CH2CHCH)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="687" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.77" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="271.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="271.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="17.0209" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.116856" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.333766" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.839E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06723" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.23E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.6328E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.3396E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336870" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.02E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2681" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.61948E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.129" />
+  <B value="-0.0046181" />
+  <Tmin units="K"  value="108.68" />
+  <Tmax units="K"  value="271.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68574" />
+  <B value="0.25341" />
+  <C value="687" />
+  <D value="0.30914" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="198.3126" />
+  <B value="-13212.05" />
+  <C value="-26.47637" />
+  <D value="0.0000206314" />
+  <E value="2" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="687" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.127174E+08" />
+  <B value="2.195635" />
+  <C value="-2.278889" />
+  <D value="0.782692" />
+  <E value="-0.231351" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-52909" />
+  <B value="1891.2" />
+  <C value="-10.945" />
+  <D value="0.035915" />
+  <E value="-0.000041132" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="271.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87661" />
+  <B value="-18.633" />
+  <C value="10.258" />
+  <D value="0.0056195" />
+  <E value="-0.0000040934" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="54598" />
+  <B value="-572.63" />
+  <C value="13.077" />
+  <D value="-0.000062304" />
+  <E value="-1.4084E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40021" />
+  <B value="-548.58" />
+  <C value="-63.413" />
+  <D value="-36103" />
+  <E value="53578" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-136.89" />
+  <B value="6165.4" />
+  <C value="19.669" />
+  <D value="-0.000025488" />
+  <E value="2" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1278E-07" />
+  <B value="0.4938" />
+  <C value="370.54" />
+  <D value="-3708.9" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0034145" />
+  <B value="-80.459" />
+  <C value="-0.91571" />
+  <D value="-0.0024408" />
+  <E value="2.3991E-07" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000075165" />
+  <B value="1.055" />
+  <C value="558.89" />
+  <D value="35355" />
+  <Tmin units="K"  value="455.77" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0084894" />
+  <B value="135.54" />
+  <C value="-3.7264" />
+  <D value="0.0026269" />
+  <E value="-0.0000065847" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-34733" />
+  <B value="643.24" />
+  <C value="-0.38654" />
+  <D value="0.00008602" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.786" />
+  <B value="3534.8" />
+  <C value="-73.926" />
+  <Tmin units="K"  value="413.15" />
+  <Tmax units="K"  value="599.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2731" />
+  <B value="-0.040741" />
+  <C value="0.000039218" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36114" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.195685E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.8965" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="124.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.481" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0516" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.00263" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.262" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.116856" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.431773" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.892" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.02812" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.8814" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.262" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20467.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.116856" />
+<UnifacVLE name="UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-13-6" />
+<Smiles name="SMILES"  value="c1(CC=C2)c2cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="820" />
+<CompoundID name="Name"  value="Indane" />
+<StructureFormula name="Structure"  value="C6H4(CH2)3" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="684.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.393" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="451" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.74" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.74" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.152927" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.178" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12315" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.309213" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.85E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.77E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.07E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.668E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8598000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87712" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.7626E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.978" />
+  <B value="-0.0055307" />
+  <Tmin units="K"  value="88.7" />
+  <Tmax units="K"  value="221.74" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63627" />
+  <B value="0.25179" />
+  <C value="684.9" />
+  <D value="0.29165" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.02207" />
+  <B value="-8795.05" />
+  <C value="-11.00248" />
+  <D value="6.105132E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2067E+07" />
+  <B value="-0.0045874" />
+  <C value="2.0817" />
+  <D value="-3.2476" />
+  <E value="1.6013" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-355.12" />
+  <B value="1287.7" />
+  <C value="-10.018" />
+  <D value="0.047026" />
+  <E value="-0.000077286" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="221.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136380" />
+  <B value="-29.478" />
+  <C value="8.0608" />
+  <D value="0.01305" />
+  <E value="-0.000010993" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="451.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60321" />
+  <B value="-643.06" />
+  <C value="13.337" />
+  <D value="-0.00018807" />
+  <E value="3.6677E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.087726" />
+  <B value="-163.08" />
+  <C value="-117.03" />
+  <D value="24981" />
+  <E value="-82865" />
+  <Tmin units="K"  value="342.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-151.95" />
+  <B value="6810.2" />
+  <C value="21.863" />
+  <D value="-0.00002342" />
+  <E value="2" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="547.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002842" />
+  <B value="0.64259" />
+  <C value="225.95" />
+  <D value="-643.44" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.041318" />
+  <B value="5.7098" />
+  <C value="-1.5369" />
+  <D value="-0.00043639" />
+  <E value="-0.0000010195" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="451.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0089527" />
+  <B value="0.43447" />
+  <C value="617.91" />
+  <D value="764370" />
+  <Tmin units="K"  value="451.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094403" />
+  <B value="81.588" />
+  <C value="-3.3664" />
+  <D value="0.0013789" />
+  <E value="-0.000005115" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-47835" />
+  <B value="715.44" />
+  <C value="-0.41555" />
+  <D value="0.0000889" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.208" />
+  <B value="3817.3" />
+  <C value="-56.866" />
+  <Tmin units="K"  value="412" />
+  <Tmax units="K"  value="611.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0311" />
+  <B value="-0.045083" />
+  <C value="0.000044726" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="547.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.381158" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.491035E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="417.5667" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263427" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.40707" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0528" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.862893" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.305" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123128" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66381" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.108" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.85719" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.305" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19405.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.123128" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="3" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="10"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="496-11-7" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)CCC2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="510" />
+<CompoundID name="Name"  value="Cumene" />
+<StructureFormula name="Structure"  value="(C6H5)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="631" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3209000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4347" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.52" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.14" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.14" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000471313" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14017" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.326" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.322E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.014E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4000000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.379E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7326000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97464" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.951E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.07" />
+  <B value="-0.0062914" />
+  <Tmin units="K"  value="70.86" />
+  <Tmax units="K"  value="177.14" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50221" />
+  <B value="0.23722" />
+  <C value="631.11" />
+  <D value="0.26133" />
+  <Tmin units="K"  value="153.1" />
+  <Tmax units="K"  value="631.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.1491" />
+  <B value="-9251.635" />
+  <C value="-14.30054" />
+  <D value="9.196883E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.766E+07" />
+  <B value="0.38939" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10800" />
+  <B value="1565.7" />
+  <C value="-10.507" />
+  <D value="0.040966" />
+  <E value="-0.000034539" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="177.16" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41467" />
+  <B value="-297.98" />
+  <C value="13.905" />
+  <D value="-0.0047724" />
+  <E value="0.0000064694" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86134" />
+  <B value="-649.19" />
+  <C value="13.375" />
+  <D value="-0.00027067" />
+  <E value="7.9617E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25813" />
+  <B value="-351.41" />
+  <C value="-75.368" />
+  <D value="-30164" />
+  <E value="51230" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1893" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.711" />
+  <B value="1557.8" />
+  <C value="0.70915" />
+  <D value="0.000002636" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9385E-07" />
+  <B value="0.59572" />
+  <C value="281.33" />
+  <D value="-806.82" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.085857" />
+  <B value="481.58" />
+  <C value="-8.587" />
+  <D value="0.025021" />
+  <E value="-0.000042138" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="500" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.6743E-07" />
+  <B value="1.8369" />
+  <C value="-449.46" />
+  <D value="112760" />
+  <Tmin units="K"  value="380" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080328" />
+  <B value="47.667" />
+  <C value="-3.2474" />
+  <D value="0.00083757" />
+  <E value="-0.0000055542" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24819" />
+  <B value="284.32" />
+  <C value="0.99258" />
+  <D value="-0.0016755" />
+  <E value="0.0000007419" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.498" />
+  <B value="3116.8" />
+  <C value="-78.092" />
+  <Tmin units="K"  value="380.45" />
+  <Tmax units="K"  value="562.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.7243" />
+  <B value="-0.05195" />
+  <C value="0.000062446" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42713" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.084995E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.2265" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2617" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139854" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2708" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.044" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.008698" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3353" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17436.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139854" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-82-8" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="509" />
+<CompoundID name="Name"  value="N-propylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH2CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="638.35" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.44" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="432.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="173.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="173.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000181372" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1402" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.345" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.344E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07997" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.012E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7900000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.376E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="400140" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9268000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0802" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.95415E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.129" />
+  <B value="-0.0065012" />
+  <Tmin units="K"  value="69.42" />
+  <Tmax units="K"  value="173.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56872" />
+  <B value="0.25108" />
+  <C value="638.35" />
+  <D value="0.29337" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="638.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.904" />
+  <B value="-8254.5" />
+  <C value="-10.105" />
+  <D value="0.0000055769" />
+  <E value="2" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="638.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1312E+07" />
+  <B value="1.0445" />
+  <C value="-0.61076" />
+  <D value="-0.59569" />
+  <E value="0.63332" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="639.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18982" />
+  <B value="1868.5" />
+  <C value="-13.446" />
+  <D value="0.053298" />
+  <E value="-0.000064273" />
+  <Tmin units="K"  value="15.78" />
+  <Tmax units="K"  value="173.59" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44429" />
+  <B value="65.841" />
+  <C value="10.897" />
+  <D value="0.0032658" />
+  <E value="-5.4402E-07" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82370" />
+  <B value="-622.6" />
+  <C value="13.289" />
+  <D value="-0.00014307" />
+  <E value="2.6658E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27002" />
+  <B value="-373.98" />
+  <C value="-70.824" />
+  <D value="-57233" />
+  <E value="135160" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1914.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.601" />
+  <B value="1467.9" />
+  <C value="0.61045" />
+  <D value="8.0442E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6834E-07" />
+  <B value="0.55936" />
+  <C value="217.09" />
+  <D value="10253" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081391" />
+  <B value="2.87" />
+  <C value="-1.3455" />
+  <D value="-0.00061835" />
+  <E value="-5.1664E-07" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.025018" />
+  <B value="0.26728" />
+  <C value="100.66" />
+  <D value="971170" />
+  <Tmin units="K"  value="432.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010179" />
+  <B value="31.565" />
+  <C value="-3.0234" />
+  <D value="0.00013909" />
+  <E value="-0.0000042396" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="638.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39569" />
+  <B value="199.18" />
+  <C value="0.98601" />
+  <D value="-0.0014461" />
+  <E value="5.8733E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.146" />
+  <B value="3610.6" />
+  <C value="-57.056" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="564.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.6832" />
+  <B value="-0.043893" />
+  <C value="0.00004826" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42982" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.985018E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="349.669" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2599" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.70588" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34319" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139831" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2716" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.048" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.007551" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4065" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3444" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17805.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139831" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="103-65-1" />
+<Smiles name="SMILES"  value="c1(CCC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="149" />
+<CompoundID name="Name"  value="N-propylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="639.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2807000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.477" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.897" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000859078" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.159758" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.259535" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.367E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.157E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.933E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.738E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="419530" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.037E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87516" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.47966E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8087" />
+  <B value="-0.005494" />
+  <Tmin units="K"  value="71.3" />
+  <Tmax units="K"  value="178.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55532" />
+  <B value="0.26594" />
+  <C value="639.15" />
+  <D value="0.29886" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.958" />
+  <B value="-7871.7" />
+  <C value="-8.8759" />
+  <D value="0.0000037842" />
+  <E value="2" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8086E+07" />
+  <B value="1.2548" />
+  <C value="-2.1193" />
+  <D value="2.1809" />
+  <E value="-0.84474" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17515" />
+  <B value="1789.5" />
+  <C value="-10.949" />
+  <D value="0.037847" />
+  <E value="-0.000022183" />
+  <Tmin units="K"  value="20.44" />
+  <Tmax units="K"  value="166.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47569" />
+  <B value="39.903" />
+  <C value="11.009" />
+  <D value="0.0038436" />
+  <E value="-0.0000012583" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123230" />
+  <B value="-835.51" />
+  <C value="14.003" />
+  <D value="-0.00055451" />
+  <E value="1.5912E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27598" />
+  <B value="-333.23" />
+  <C value="-82.257" />
+  <D value="-29470" />
+  <E value="49574" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1754" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.964" />
+  <B value="1768.3" />
+  <C value="1.0133" />
+  <D value="0.0000031666" />
+  <E value="2" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010206" />
+  <B value="0.44533" />
+  <C value="352.16" />
+  <D value="7219.8" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049742" />
+  <B value="3.3035" />
+  <C value="-1.5814" />
+  <D value="-0.00048571" />
+  <E value="-0.000001015" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000001205" />
+  <B value="1.6222" />
+  <C value="-42.945" />
+  <D value="15739" />
+  <Tmin units="K"  value="429.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011029" />
+  <B value="31.201" />
+  <C value="-3.1062" />
+  <D value="0.00016942" />
+  <E value="-0.000003854" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-62027.8" />
+  <B value="982.0266" />
+  <C value="-0.560028" />
+  <D value="0.000114244" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.417" />
+  <B value="3136.4" />
+  <C value="-77.095" />
+  <Tmin units="K"  value="383.78" />
+  <Tmax units="K"  value="566.38" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.8674" />
+  <B value="-0.044293" />
+  <C value="0.000049254" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.4812" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.622026E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.1178" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0646" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.796026" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26539" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159758" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.068799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.856" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2577" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16377.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159758" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-92-8" />
+<Smiles name="SMILES"  value="C1CCCCC1CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="46" />
+<CompoundID name="Name"  value="N-nonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)7CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.555" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="423.97" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.430583" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1797" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.443" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.814E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09895" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.369E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.498E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="506400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.547E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68455E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4283" />
+  <B value="-0.0023699" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="219.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46379" />
+  <B value="0.25569" />
+  <C value="594.6" />
+  <D value="0.27961" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="34.38252" />
+  <B value="-6235.412" />
+  <C value="-1.153933" />
+  <D value="-6.408486E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.427482E+07" />
+  <B value="1.573752" />
+  <C value="-1.785921" />
+  <D value="0.692082" />
+  <E value="0.00268541" />
+  <Tmin units="K"  value="219.63" />
+  <Tmax units="K"  value="594.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-28596" />
+  <B value="2152.5" />
+  <C value="-8.5201" />
+  <D value="0.0044645" />
+  <E value="0.000055805" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="217.21" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="263370" />
+  <B value="-14466" />
+  <C value="134.04" />
+  <D value="-0.36823" />
+  <E value="0.00038456" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="325" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137710" />
+  <B value="-699.52" />
+  <C value="13.613" />
+  <D value="-0.00021735" />
+  <E value="5.3695E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.46778" />
+  <B value="-570.55" />
+  <C value="-46.368" />
+  <D value="-127140" />
+  <E value="315920" />
+  <Tmin units="K"  value="297.83" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-75.488" />
+  <B value="3420.7" />
+  <C value="10.183" />
+  <D value="-0.000014836" />
+  <E value="2" />
+  <Tmin units="K"  value="218.15" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0363E-07" />
+  <B value="0.77284" />
+  <C value="221.39" />
+  <D value="-190.1" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.022998" />
+  <B value="-23.224" />
+  <C value="-1.6475" />
+  <D value="-0.000633" />
+  <E value="-0.0000035211" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="423.97" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.065472" />
+  <B value="0.27739" />
+  <C value="-3569.2" />
+  <D value="-1629700" />
+  <Tmin units="K"  value="423.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056952" />
+  <B value="124.02" />
+  <C value="-4.2139" />
+  <D value="0.0035336" />
+  <E value="-0.0000093096" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="101040" />
+  <B value="38.039" />
+  <C value="1.6975" />
+  <D value="-0.0022264" />
+  <E value="8.7011E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.112" />
+  <B value="3452.4" />
+  <C value="-63.768" />
+  <Tmin units="K"  value="357.73" />
+  <Tmax units="K"  value="515.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.5536" />
+  <B value="-0.024184" />
+  <C value="0.000017792" />
+  <Tmin units="K"  value="218.15" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.8299E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.6737" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251687" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1157" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0686" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720247" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.4437" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179507" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.523" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.476" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.005435" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.3143" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4439" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15648.08" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1796" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-84-2" />
+<Smiles name="SMILES"  value="CCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="701" />
+<CompoundID name="Name"  value="Naphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H4)" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="748.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.407" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="491.16" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="353.434" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="353.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="991.297" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.174" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12913" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.045E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07464" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.42E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.5058E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.2408E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.898E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96523" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.9809E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.819" />
+  <B value="-0.0022406" />
+  <Tmin units="K"  value="281.46" />
+  <Tmax units="K"  value="353.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45282" />
+  <B value="0.21953" />
+  <C value="748.4" />
+  <D value="0.23236" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="748.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.15947" />
+  <B value="-9448.063" />
+  <C value="-10.23844" />
+  <D value="4.335455E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="748.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.732822E+07" />
+  <B value="1.116621" />
+  <C value="-1.313575" />
+  <D value="0.672121" />
+  <E value="-0.00584514" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="749.42" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7014.1" />
+  <B value="684.23" />
+  <C value="-2.2709" />
+  <D value="0.008208" />
+  <E value="-0.0000076772" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="353.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="149170" />
+  <B value="579.65" />
+  <C value="3.8152" />
+  <D value="0.021624" />
+  <E value="-0.000015657" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="491.14" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49831" />
+  <B value="-547.92" />
+  <C value="13.201" />
+  <D value="-0.00013999" />
+  <E value="2.8208E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13484" />
+  <B value="-251.35" />
+  <C value="-132.06" />
+  <D value="-59271" />
+  <E value="77447" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2151" />
+  <B value="1338.2" />
+  <C value="-0.46592" />
+  <D value="0.00000135" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2323E-08" />
+  <B value="1.0475" />
+  <C value="-162.06" />
+  <D value="35144" />
+  <Tmin units="K"  value="325.8" />
+  <Tmax units="K"  value="1266.41" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.033214" />
+  <B value="-361.89" />
+  <C value="-0.012818" />
+  <D value="-0.0040236" />
+  <E value="0.0000012782" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="694.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000017754" />
+  <B value="1.2123" />
+  <C value="69.759" />
+  <D value="78517" />
+  <Tmin units="K"  value="371.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074501" />
+  <B value="94.11" />
+  <C value="-3.4217" />
+  <D value="0.0018602" />
+  <E value="-0.0000054745" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="727.61" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24021" />
+  <B value="118.95" />
+  <C value="1.3285" />
+  <D value="-0.0019897" />
+  <E value="8.4583E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.318" />
+  <B value="4256.5" />
+  <C value="-56.542" />
+  <Tmin units="K"  value="452.66" />
+  <Tmax units="K"  value="673.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8047" />
+  <B value="-0.019941" />
+  <C value="0.000014687" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.38343" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.805835E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="409.9511" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.88" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.35375" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0554" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.969046" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130825" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.920237" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.368" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005006" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.78227" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19187.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130825" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="8" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="8" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="91-20-3" />
+<Smiles name="SMILES"  value="c1cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="723" />
+<CompoundID name="Name"  value="1-methylindene" />
+<StructureFormula name="Structure"  value="CH3(C9H7)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="703" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="471.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.186" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134643" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.334861" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.195E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07745" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.56E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.912E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.97E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="354000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.28E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.82" />
+  <B value="-1.1395E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61191" />
+  <B value="0.25938" />
+  <C value="703" />
+  <D value="0.29267" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.18824" />
+  <B value="-8859.756" />
+  <C value="-9.212247" />
+  <D value="3.741568E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="703" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.0901E+07" />
+  <B value="1.9933" />
+  <C value="-4.5733" />
+  <D value="5.098" />
+  <E value="-2.0923" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3419.9" />
+  <B value="1162.6" />
+  <C value="-5.6175" />
+  <D value="0.02291" />
+  <E value="-0.000035065" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152820" />
+  <B value="-189.88" />
+  <C value="10.81" />
+  <D value="0.00256" />
+  <E value="-0.0000011085" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="471.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-133130" />
+  <B value="-213.74" />
+  <C value="13.196" />
+  <D value="0.00017372" />
+  <E value="-4.8074E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28669" />
+  <B value="-413.47" />
+  <C value="-98.347" />
+  <D value="-24136" />
+  <E value="-27455" />
+  <Tmin units="K"  value="351.5" />
+  <Tmax units="K"  value="1931.5" />
+  </SecondVirialCoefficient>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000033072" />
+  <B value="0.32792" />
+  <C value="786.18" />
+  <D value="680.97" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.018671" />
+  <B value="-66.592" />
+  <C value="-0.99313" />
+  <D value="-0.0021306" />
+  <E value="2.0941E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="471.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000091267" />
+  <B value="1.0385" />
+  <C value="720.72" />
+  <D value="-19410" />
+  <Tmin units="K"  value="471.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011077" />
+  <B value="98.828" />
+  <C value="-3.4597" />
+  <D value="0.0014463" />
+  <E value="-0.0000045421" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-96611" />
+  <B value="1045.1" />
+  <C value="-0.86408" />
+  <D value="0.00027375" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.371" />
+  <B value="4079.4" />
+  <C value="-58.289" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="703" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.419867" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.191125E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="349.703" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261176" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.5" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0578" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.97441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.33569" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134207" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.105471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.424" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.33569" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18312.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134207" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="767-59-9" />
+<Smiles name="SMILES"  value="C1=CC=C2C(=C1)C=CC2C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="724" />
+<CompoundID name="Name"  value="2-methylindene" />
+<StructureFormula name="Structure"  value="CH3(C9H7)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="711" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="479.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="353.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="353.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3020.69" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.186" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13407" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.350814" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.21E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07744" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.15E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.19E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.21E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8568" />
+  <B value="-0.0013205" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="353.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58652" />
+  <B value="0.25339" />
+  <C value="711" />
+  <D value="0.28941" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.273" />
+  <B value="-9299.2" />
+  <C value="-10.097" />
+  <D value="0.0000042786" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.303067E+07" />
+  <B value="0.433923" />
+  <C value="0.764504" />
+  <D value="-1.615634" />
+  <E value="0.843055" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3419.9" />
+  <B value="1162.6" />
+  <C value="-5.6175" />
+  <D value="0.02291" />
+  <E value="-0.000035065" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156160" />
+  <B value="-200.07" />
+  <C value="10.512" />
+  <D value="0.0025015" />
+  <E value="-0.0000010635" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="479.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-154380" />
+  <B value="-193.88" />
+  <C value="13.203" />
+  <D value="0.00019348" />
+  <E value="-5.2535E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29598" />
+  <B value="-426.37" />
+  <C value="-103.51" />
+  <D value="-35570" />
+  <E value="-7294.6" />
+  <Tmin units="K"  value="355.5" />
+  <Tmax units="K"  value="1877" />
+  </SecondVirialCoefficient>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.6835E-07" />
+  <B value="0.47111" />
+  <C value="397.83" />
+  <D value="9327.5" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.057046" />
+  <B value="-181.52" />
+  <C value="-0.63312" />
+  <D value="-0.0038758" />
+  <E value="-8.2839E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="479.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00009568" />
+  <B value="1.0268" />
+  <C value="701.49" />
+  <D value="-31051" />
+  <Tmin units="K"  value="458" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.046165" />
+  <B value="-77.721" />
+  <C value="-1.5311" />
+  <D value="-0.0027248" />
+  <E value="9.8161E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-89608" />
+  <B value="1020.3" />
+  <C value="-0.836" />
+  <D value="0.00026368" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.171" />
+  <B value="3944.4" />
+  <C value="-70.171" />
+  <Tmin units="K"  value="438.79" />
+  <Tmax units="K"  value="620.26" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.419809" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.292766E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="339.0997" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259776" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.5" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0578" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.97849" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133656" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.104812" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.32769" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17790.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133656" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2177-47-1" />
+<Smiles name="SMILES"  value="C1=CC=C2C(=C1)C=C(C2)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="316" />
+<CompoundID name="Name"  value="Dicyclopentadiene" />
+<StructureFormula name="Structure"  value="C10H12" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.445" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="443" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="305.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="305.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="566.19" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="132.202" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134736" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.288011" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.981E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17800" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08146" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.961E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.75E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="240000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2090000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00701" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.535E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4692" />
+  <B value="-0.0037207" />
+  <Tmin units="K"  value="122.06" />
+  <Tmax units="K"  value="307" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41899" />
+  <B value="0.20539" />
+  <C value="660" />
+  <D value="0.34053" />
+  <Tmin units="K"  value="299.82" />
+  <Tmax units="K"  value="641.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.31496" />
+  <B value="-7292.827" />
+  <C value="-7.388294" />
+  <D value="3.746895E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="243.37" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0543E+07" />
+  <B value="1.9867" />
+  <C value="-4.6545" />
+  <D value="5.1772" />
+  <E value="-2.0831" />
+  <Tmin units="K"  value="215.37" />
+  <Tmax units="K"  value="641.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5863.1" />
+  <B value="689.22" />
+  <C value="-1.2292" />
+  <D value="0.0028409" />
+  <E value="-0.0000028796" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="305.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83937" />
+  <B value="-392.22" />
+  <C value="13.886" />
+  <D value="-0.0031138" />
+  <E value="0.000003368" />
+  <Tmin units="K"  value="226.76" />
+  <Tmax units="K"  value="443.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38735" />
+  <B value="-535.99" />
+  <C value="13.553" />
+  <D value="-0.00031277" />
+  <E value="0.0000001075" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30263" />
+  <B value="-423.69" />
+  <C value="-80.39" />
+  <D value="-8399.9" />
+  <E value="-29911" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.633" />
+  <B value="1272.8" />
+  <C value="0.067676" />
+  <D value="-1.2999E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="443" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004337" />
+  <B value="0.561" />
+  <C value="232.6" />
+  <D value="-0.00081701" />
+  <Tmin units="K"  value="305.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029848" />
+  <B value="47.178" />
+  <C value="-2.5363" />
+  <D value="0.0023572" />
+  <E value="-0.0000058893" />
+  <Tmin units="K"  value="215.37" />
+  <Tmax units="K"  value="443" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025878" />
+  <B value="0.8604" />
+  <C value="51.14" />
+  <D value="244020" />
+  <Tmin units="K"  value="443" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0036707" />
+  <B value="-111.23" />
+  <C value="-2.5419" />
+  <D value="0.0011565" />
+  <E value="-0.0000087684" />
+  <Tmin units="K"  value="289.37" />
+  <Tmax units="K"  value="641.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-93645" />
+  <B value="1047.4" />
+  <C value="-0.74596" />
+  <D value="0.00019876" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="3463.4" />
+  <C value="-65.612" />
+  <Tmin units="K"  value="397.37" />
+  <Tmax units="K"  value="593.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0484" />
+  <B value="-0.038478" />
+  <C value="0.000039089" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="443" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.47426" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.592001E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.7627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.99181" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2851" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.138585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8156" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.548" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285111" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17445.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.138585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="2" />
+  <group id="78"  value="2" />
+  <group id="79"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="77-73-6" />
+<Smiles name="SMILES"  value="C1=CC2C(C3)C=CC3C2C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="518" />
+<CompoundID name="Name"  value="N-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)(CH2)3CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000154386" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15678" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.849E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0902" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.147E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.314E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.454E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439490" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.122E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5644E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.915" />
+  <B value="-0.0053456" />
+  <Tmin units="K"  value="74.12" />
+  <Tmax units="K"  value="185.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50648" />
+  <B value="0.25203" />
+  <C value="660.5" />
+  <D value="0.29203" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="660.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.11" />
+  <B value="-9186.6" />
+  <C value="-11.379" />
+  <D value="0.0000058585" />
+  <E value="2" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.5698E+07" />
+  <B value="0.30842" />
+  <C value="0.67062" />
+  <D value="-1.1135" />
+  <E value="0.53276" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18859" />
+  <B value="1942.8" />
+  <C value="-11.998" />
+  <D value="0.0352" />
+  <E value="-0.0000012248" />
+  <Tmin units="K"  value="15.46" />
+  <Tmax units="K"  value="176.91" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173590" />
+  <B value="115.14" />
+  <C value="7.4501" />
+  <D value="0.014631" />
+  <E value="-0.000011875" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97423" />
+  <B value="-619.62" />
+  <C value="13.35" />
+  <D value="-0.000032816" />
+  <E value="-9.3502E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28148" />
+  <B value="-399.22" />
+  <C value="-98.306" />
+  <D value="-38470" />
+  <E value="66230" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1815" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.829" />
+  <B value="1737.7" />
+  <C value="1.0385" />
+  <D value="0.0000015468" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="456.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4687E-07" />
+  <B value="0.59512" />
+  <C value="233.67" />
+  <D value="177.63" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.081204" />
+  <B value="245.71" />
+  <C value="-5.5946" />
+  <D value="0.01322" />
+  <E value="-0.00002506" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.19225" />
+  <B value="-0.0011093" />
+  <C value="-156.74" />
+  <D value="1712400" />
+  <Tmin units="K"  value="456.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077709" />
+  <B value="39.218" />
+  <C value="-3.1402" />
+  <D value="0.00039689" />
+  <E value="-0.0000047539" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="53961" />
+  <B value="158.64" />
+  <C value="1.3025" />
+  <D value="-0.0018341" />
+  <E value="7.3891E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.151" />
+  <B value="3770" />
+  <C value="-64.789" />
+  <Tmin units="K"  value="400.04" />
+  <Tmax units="K"  value="585.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.5752" />
+  <B value="-0.047333" />
+  <C value="0.000051973" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="456.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.49211" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.374551E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.2727" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.3181" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.064" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863174" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3921" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156494" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.946" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.588" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005215" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7426" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3923" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17450.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156494" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="104-51-8" />
+<Smiles name="SMILES"  value="c1(CCCC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="152" />
+<CompoundID name="Name"  value="N-butylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH2CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="667" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.534" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="454.131" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="198.42" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="198.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00365804" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="140.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.176266" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.274326" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.831E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10115" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.292E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1317E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.654E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="458480" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.416E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0128" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0902E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.8228" />
+  <B value="-0.0043849" />
+  <Tmin units="K"  value="79.37" />
+  <Tmax units="K"  value="198.42" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49786" />
+  <B value="0.26572" />
+  <C value="667" />
+  <D value="0.30254" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.702" />
+  <B value="-8417.7" />
+  <C value="-8.6968" />
+  <D value="0.0000027713" />
+  <E value="2" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.7656E+07" />
+  <B value="1.637" />
+  <C value="-3.3269" />
+  <D value="3.6698" />
+  <E value="-1.48" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18810" />
+  <B value="1861.7" />
+  <C value="-9.714" />
+  <D value="0.029711" />
+  <E value="-0.000021893" />
+  <Tmin units="K"  value="19.69" />
+  <Tmax units="K"  value="182.77" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117850" />
+  <B value="44.861" />
+  <C value="10.356" />
+  <D value="0.0053947" />
+  <E value="-0.0000020204" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="667" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145450" />
+  <B value="-890.37" />
+  <C value="14.241" />
+  <D value="-0.0007098" />
+  <E value="2.1101E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30987" />
+  <B value="-371.48" />
+  <C value="-115.93" />
+  <D value="-59916" />
+  <E value="103120" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="1834" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-66.15115" />
+  <B value="3536.438" />
+  <C value="8.46644" />
+  <D value="-7.612217E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="533.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.6992E-07" />
+  <B value="0.52089" />
+  <C value="326.29" />
+  <D value="-3328.7" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040753" />
+  <B value="3.9448" />
+  <C value="-1.6588" />
+  <D value="-0.00045987" />
+  <E value="-0.0000010215" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="454.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000063509" />
+  <B value="1.1032" />
+  <C value="470.22" />
+  <D value="42922" />
+  <Tmin units="K"  value="454.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0078825" />
+  <B value="39.221" />
+  <C value="-3.1848" />
+  <D value="0.00024234" />
+  <E value="-0.0000043706" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60324.92" />
+  <B value="1061.481" />
+  <C value="-0.587852" />
+  <D value="0.000112386" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.259" />
+  <B value="3153.7" />
+  <C value="-92.942" />
+  <Tmin units="K"  value="406.1" />
+  <Tmax units="K"  value="593.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0207" />
+  <B value="-0.046654" />
+  <C value="0.000047972" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="533.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.56133" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.106917E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.6273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="205.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0704" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.801447" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42513" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.176266" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7432" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.028388" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3618" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16411.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.176266" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-93-9" />
+<Smiles name="SMILES"  value="C1CCCCC1CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="56" />
+<CompoundID name="Name"  value="N-decane" />
+<StructureFormula name="Structure"  value="CH3(CH2)8CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.624" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="447.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="243.51" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="243.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.39297" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.285" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.19595" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.491" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.148E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.504E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4946E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.318E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="545700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.871E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2407" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.29422E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.8978" />
+  <B value="-0.0024599" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="243.51" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.37424" />
+  <B value="0.2405" />
+  <C value="617.7" />
+  <D value="0.27182" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="6.023802" />
+  <B value="-5713.196" />
+  <C value="3.410225" />
+  <D value="-0.000012633" />
+  <E value="2" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7689E+07" />
+  <B value="-1.1412" />
+  <C value="5.1463" />
+  <D value="-6.2946" />
+  <E value="2.6623" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31951" />
+  <B value="2362.8" />
+  <C value="-10.206" />
+  <D value="0.015203" />
+  <E value="0.000023859" />
+  <Tmin units="K"  value="19.93" />
+  <Tmax units="K"  value="243.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="160660" />
+  <B value="291.43" />
+  <C value="8.5687" />
+  <D value="0.0098408" />
+  <E value="-0.0000060811" />
+  <Tmin units="K"  value="242.3" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152020" />
+  <B value="-697.29" />
+  <C value="13.714" />
+  <D value="-0.00021747" />
+  <E value="4.9426E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.42912" />
+  <B value="-507.47" />
+  <C value="-102.75" />
+  <D value="-147160" />
+  <E value="373570" />
+  <Tmin units="K"  value="309.23" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-102.98" />
+  <B value="4517.9" />
+  <C value="14.495" />
+  <D value="-0.00002056" />
+  <E value="2" />
+  <Tmin units="K"  value="240.05" />
+  <Tmax units="K"  value="494.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3638E-08" />
+  <B value="0.95886" />
+  <C value="24.698" />
+  <D value="7541.9" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.071684" />
+  <B value="-217.03" />
+  <C value="-0.47424" />
+  <D value="-0.0039028" />
+  <E value="-0.0000049442" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="447.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-668.49" />
+  <B value="0.93224" />
+  <C value="-4.0687E+09" />
+  <D value="-1.0176E+09" />
+  <Tmin units="K"  value="447.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051431" />
+  <B value="154.8" />
+  <C value="-4.4562" />
+  <D value="0.0041164" />
+  <E value="-0.0000095358" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="111970" />
+  <B value="34.414" />
+  <C value="1.9229" />
+  <D value="-0.002534" />
+  <E value="9.9524E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.985" />
+  <B value="3507.8" />
+  <C value="-76.505" />
+  <Tmin units="K"  value="375.01" />
+  <Tmax units="K"  value="538.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.056572" />
+  <B value="-0.032506" />
+  <C value="0.000029737" />
+  <Tmin units="K"  value="240.05" />
+  <Tmax units="K"  value="494.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.61922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.179973E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.7822" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2503" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34943" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0756" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.732721" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.4916" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195806" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.2" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.02" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003324" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.7327" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4869" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15791.26" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.196" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-18-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="702" />
+<CompoundID name="Name"  value="1-methylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)CH3" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="772" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.462" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517.84" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.043382" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.2" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13937" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.435E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08511" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.179E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="377400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6945000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96548" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5958E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4144" />
+  <B value="-0.0042867" />
+  <Tmin units="K"  value="97.07" />
+  <Tmax units="K"  value="242.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59739" />
+  <B value="0.26468" />
+  <C value="772" />
+  <D value="0.2918" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="753.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.89852" />
+  <B value="-9115.529" />
+  <C value="-7.252019" />
+  <D value="2.094885E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="772.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0001E+07" />
+  <B value="0.3382" />
+  <C value="0.060354" />
+  <D value="-0.021035" />
+  <E value="-0.0086978" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="772.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10175" />
+  <B value="1369.3" />
+  <C value="-8.8231" />
+  <D value="0.038851" />
+  <E value="-0.000058806" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="240.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134210" />
+  <B value="116.27" />
+  <C value="8.3119" />
+  <D value="0.012175" />
+  <E value="-0.000010378" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67134" />
+  <B value="-530.75" />
+  <C value="13.222" />
+  <D value="-0.000033319" />
+  <E value="-3.2916E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15567" />
+  <B value="-253.83" />
+  <C value="-196.1" />
+  <D value="-31135" />
+  <E value="-111130" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.170859" />
+  <B value="1169.912" />
+  <C value="-3.261889" />
+  <D value="6.874562E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4606E-07" />
+  <B value="0.6456" />
+  <C value="239.2" />
+  <D value="-8656.8" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049867" />
+  <B value="2.2749" />
+  <C value="-1.45" />
+  <D value="-0.00045282" />
+  <E value="-7.0729E-07" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.5229" />
+  <B value="-0.35024" />
+  <C value="-1389.7" />
+  <D value="2465100" />
+  <Tmin units="K"  value="517.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013368" />
+  <B value="52.546" />
+  <C value="-2.9174" />
+  <D value="0.00019752" />
+  <E value="-0.0000028051" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="744.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-46869" />
+  <B value="820.01" />
+  <C value="-0.41207" />
+  <D value="-0.000085888" />
+  <E value="1.0651E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.512" />
+  <B value="4531" />
+  <C value="-63.887" />
+  <Tmin units="K"  value="464" />
+  <Tmax units="K"  value="693.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.0924" />
+  <B value="-0.056774" />
+  <C value="0.000057342" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465187" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.297362E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="389.4123" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="161.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.37108" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0623" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0232" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3337" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1398" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.610415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.056699" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.77801" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3337" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20129.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1398" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="7" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="7" />
+  <group id="8"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="90-12-0" />
+<Smiles name="SMILES"  value="c1(C)cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="703" />
+<CompoundID name="Name"  value="2-methylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)CH3" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="761" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3540000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.462" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="514.2" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="307.73" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="307.73" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.6897" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.2" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.374" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.426E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08511" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.161E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.163E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.212E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00411" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.58286E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9663" />
+  <B value="-0.0049976" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53405" />
+  <B value="0.25024" />
+  <C value="761.16" />
+  <D value="0.28587" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="761.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="98.05854" />
+  <B value="-10275.56" />
+  <C value="-10.82814" />
+  <D value="3.919145E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="761.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.0724E+07" />
+  <B value="1.2004" />
+  <C value="-1.1581" />
+  <D value="0.47852" />
+  <E value="-0.081108" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="761.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4930.5" />
+  <B value="1192.6" />
+  <C value="-5.4492" />
+  <D value="0.016185" />
+  <E value="-0.000012597" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="307.73" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74335" />
+  <B value="-307.25" />
+  <C value="13.46" />
+  <D value="-0.0028051" />
+  <E value="0.000003645" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="514.26" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69292" />
+  <B value="-534.4" />
+  <C value="13.21" />
+  <D value="-0.00001663" />
+  <E value="-8.8386E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22212" />
+  <B value="-342.38" />
+  <C value="-170.61" />
+  <D value="-97471" />
+  <E value="108730" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-88.346" />
+  <B value="4977.8" />
+  <C value="11.629" />
+  <D value="-0.0000078261" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="608.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029847" />
+  <B value="0.34183" />
+  <C value="891.22" />
+  <D value="-28677" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0084839" />
+  <B value="-307.37" />
+  <C value="0.18174" />
+  <D value="-0.0046509" />
+  <E value="0.0000016652" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="514.26" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000098384" />
+  <B value="1.0234" />
+  <C value="722.6" />
+  <D value="42453" />
+  <Tmin units="K"  value="514.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.042844" />
+  <B value="-52.703" />
+  <C value="-1.7419" />
+  <D value="-0.0021776" />
+  <E value="5.2767E-07" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="737.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-38837" />
+  <B value="780.58" />
+  <C value="-0.36035" />
+  <D value="-0.00011067" />
+  <E value="0.0000001095" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.535" />
+  <B value="3740.1" />
+  <C value="-99.198" />
+  <Tmin units="K"  value="460.76" />
+  <Tmax units="K"  value="673.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.90585" />
+  <B value="-0.032061" />
+  <C value="0.00002781" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="608.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465187" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.331317E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="378.5547" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="161.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0624" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0073" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3815" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.610415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3815" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19870.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="7" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="7" />
+  <group id="8"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="91-57-6" />
+<Smiles name="SMILES"  value="c1c(C)ccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="63" />
+<CompoundID name="Name"  value="N-undecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)9CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="639" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1980000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.689" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="469.08" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.571" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.571" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.408414" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="156.312" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.21224" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.538" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.496E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.639E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.7043E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.116E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="584930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.218E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3766" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.9036E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.2757" />
+  <B value="-0.0028242" />
+  <Tmin units="K"  value="99.03" />
+  <Tmax units="K"  value="247.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36785" />
+  <B value="0.24938" />
+  <C value="639" />
+  <D value="0.28395" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.8551" />
+  <B value="-11029.21" />
+  <C value="-15.54009" />
+  <D value="8.030888E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.9735E+07" />
+  <B value="0.81788" />
+  <C value="0.31647" />
+  <D value="-1.4781" />
+  <E value="0.80673" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-39053" />
+  <B value="2684.8" />
+  <C value="-12.418" />
+  <D value="0.023835" />
+  <E value="0.000012675" />
+  <Tmin units="K"  value="28.87" />
+  <Tmax units="K"  value="214.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="208030" />
+  <B value="521.1" />
+  <C value="6.1551" />
+  <D value="0.017086" />
+  <E value="-0.000013175" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="433.42" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177700" />
+  <B value="-730.83" />
+  <C value="13.81" />
+  <D value="-0.00021088" />
+  <E value="5.7776E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.60629" />
+  <B value="-760.54" />
+  <C value="-75.703" />
+  <D value="-307370" />
+  <E value="805010" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-92.575" />
+  <B value="4408.9" />
+  <C value="12.698" />
+  <D value="-0.000015556" />
+  <E value="2" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="511.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9213E-08" />
+  <B value="0.9335" />
+  <C value="118.62" />
+  <D value="-4363.8" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.015185" />
+  <B value="-212.29" />
+  <C value="-0.044539" />
+  <D value="-0.0049614" />
+  <E value="0.0000013629" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="469.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.037608" />
+  <B value="0.6852" />
+  <C value="33443" />
+  <D value="9124600" />
+  <Tmin units="K"  value="469.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.099094" />
+  <B value="-34.281" />
+  <C value="-1.5565" />
+  <D value="-0.0016817" />
+  <E value="9.0654E-07" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11238.22" />
+  <B value="1067.841" />
+  <C value="-0.600948" />
+  <D value="0.000132394" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.005" />
+  <B value="3654.7" />
+  <C value="-83.504" />
+  <Tmin units="K"  value="384.11" />
+  <Tmax units="K"  value="556.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.80609" />
+  <B value="-0.035059" />
+  <C value="0.00003251" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="511.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.684519" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.41521E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.4536" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.243351" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="230.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.98384" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0825" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.742846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5349" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.212215" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.871799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.556" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012698" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.1446" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.521" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15934.45" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2122" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1120-21-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="808" />
+<CompoundID name="Name"  value="Acenaphthene" />
+<StructureFormula name="Structure"  value="C12H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="803.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.553" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="550.54" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="366.56" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="366.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="199.997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.208" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149792" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.381147" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.5E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0909799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.55E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.602E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.1462E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0014E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7696" />
+  <B value="-0.0028899" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="366.56" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.39942" />
+  <B value="0.22066" />
+  <C value="803.15" />
+  <D value="0.24043" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.737" />
+  <B value="-9735.5" />
+  <C value="-7.1321" />
+  <D value="0.0000016079" />
+  <E value="2" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="803.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.785978E+08" />
+  <B value="10.14483" />
+  <C value="-25.41937" />
+  <D value="26.03775" />
+  <E value="-9.982155" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2546" />
+  <B value="828.81" />
+  <C value="-2.4427" />
+  <D value="0.0073064" />
+  <E value="-0.0000044872" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="366.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173930" />
+  <B value="379.65" />
+  <C value="5.6292" />
+  <D value="0.017939" />
+  <E value="-0.000013551" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60762" />
+  <B value="-515.4" />
+  <C value="13.307" />
+  <D value="-0.000026823" />
+  <E value="-1.013E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.53731" />
+  <B value="401.04" />
+  <C value="-321.41" />
+  <D value="-48048" />
+  <E value="-100110" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2073" />
+  <B value="1373.2" />
+  <C value="-0.25871" />
+  <D value="-0.0000036859" />
+  <E value="2" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000015547" />
+  <B value="0.4064" />
+  <C value="630.11" />
+  <D value="26.274" />
+  <Tmin units="K"  value="550.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.059552" />
+  <B value="-91.592" />
+  <C value="-1.7169" />
+  <D value="-0.0019056" />
+  <E value="1.2951E-07" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078027" />
+  <B value="1.0286" />
+  <C value="593.39" />
+  <D value="37622" />
+  <Tmin units="K"  value="550.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090914" />
+  <B value="266.35" />
+  <C value="-4.4764" />
+  <D value="0.0037262" />
+  <E value="-0.00000553" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-54576" />
+  <B value="908.74" />
+  <C value="-0.58719" />
+  <D value="0.00014077" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.25834" />
+  <B value="-1500" />
+  <C value="-9" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.212" />
+  <B value="4475.2" />
+  <C value="-88.378" />
+  <Tmin units="K"  value="483.15" />
+  <Tmax units="K"  value="711.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.07954" />
+  <B value="-0.022051" />
+  <C value="0.000012441" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.500752" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.820483E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.9754" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257114" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="177.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0645" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.08499" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.382" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149792" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.997356" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.96" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.382" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19480.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149792" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="6" />
+  <group id="11"  value="2" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="6" />
+  <group id="10"  value="2" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="10"  value="6" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="2" />
+  <group id="7"  value="6" />
+  <group id="8"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="6" />
+  <group id="11"  value="2" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="6" />
+  <group id="10"  value="2" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="83-32-9" />
+<Smiles name="SMILES"  value="C12=CC=CC3=C1C(=CC=C3)CC2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="558" />
+<CompoundID name="Name"  value="Biphenyl" />
+<StructureFormula name="Structure"  value="(C6H5)2" />
+<Family name="Family"  value="21" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="789.26" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3847270" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.491118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.294" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="528.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="342.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="342.372" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="84.2725" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.211" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155536" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3643" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.834E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19383" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0916799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.066E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.82088E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.80077E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="392668" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.85769E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08574" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0317E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.53" />
+  <B value="8.742E-09" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="351.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50803" />
+  <B value="0.25417" />
+  <C value="789.26" />
+  <D value="0.2795" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="154.3401" />
+  <B value="-13555.42" />
+  <C value="-19.05582" />
+  <D value="8.30386E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.680865E+07" />
+  <B value="0.473092" />
+  <C value="1.061004" />
+  <D value="-2.226343" />
+  <E value="1.156876" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="221670" />
+  <B value="-2517.1" />
+  <C value="16.838" />
+  <D value="-0.039851" />
+  <E value="0.000036033" />
+  <Tmin units="K"  value="185" />
+  <Tmax units="K"  value="342.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="24132" />
+  <B value="-12.395" />
+  <C value="11.585" />
+  <D value="0.0029407" />
+  <E value="-0.0000014331" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79583" />
+  <B value="-635.84" />
+  <C value="13.574" />
+  <D value="-0.00034935" />
+  <E value="9.291E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26138" />
+  <B value="-245.47" />
+  <C value="-216.33" />
+  <D value="-240010" />
+  <E value="501010" />
+  <Tmin units="K"  value="395" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.998" />
+  <B value="1574.4" />
+  <C value="-0.022671" />
+  <D value="-3.4058E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7776E-07" />
+  <B value="0.70632" />
+  <C value="118.6" />
+  <D value="61798" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.086277" />
+  <B value="-343.48" />
+  <C value="0.36261" />
+  <D value="-0.00791" />
+  <E value="0.0000032504" />
+  <Tmin units="K"  value="357.65" />
+  <Tmax units="K"  value="528" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000031971" />
+  <B value="1.1528" />
+  <C value="215.14" />
+  <D value="115000" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069524" />
+  <B value="142.55" />
+  <C value="-3.829" />
+  <D value="0.0025886" />
+  <E value="-0.0000054473" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7009.1" />
+  <B value="510.44" />
+  <C value="0.52814" />
+  <D value="-0.0011436" />
+  <E value="5.1292E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.881" />
+  <B value="4024.6" />
+  <C value="-97.95" />
+  <Tmin units="K"  value="474.02" />
+  <Tmax units="K"  value="707.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8372" />
+  <B value="-0.017826" />
+  <C value="0.000010734" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.48899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.396712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="628.324" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="177.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.068" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.619296" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.36329" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155536" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0434" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.24" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000398" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3643" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19383" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155536" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="10" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="92-52-4" />
+<Smiles name="SMILES"  value="c1ccccc1(c2ccccc2)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="64" />
+<CompoundID name="Name"  value="N-dodecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)10CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.754" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="489.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.568" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="263.568" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.615203" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="170.338" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.22859" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.914E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.774E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.9072E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.981E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="624150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.684E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3026" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.51368E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.7375" />
+  <B value="-0.0024301" />
+  <Tmin units="K"  value="105.43" />
+  <Tmax units="K"  value="263.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.30334" />
+  <B value="0.23617" />
+  <C value="658" />
+  <D value="0.2706" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="658" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.8877" />
+  <B value="-11582.12" />
+  <C value="-15.22541" />
+  <D value="6.680034E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.812979E+07" />
+  <B value="0.939672" />
+  <C value="-0.0412509" />
+  <D value="-0.949322" />
+  <E value="0.501567" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-40692" />
+  <B value="2827.2" />
+  <C value="-13.076" />
+  <D value="0.027179" />
+  <E value="0.0000013665" />
+  <Tmin units="K"  value="29.97" />
+  <Tmax units="K"  value="258.41" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="203950" />
+  <B value="627.31" />
+  <C value="6.2796" />
+  <D value="0.014676" />
+  <E value="-0.0000079758" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="193680" />
+  <B value="-732.61" />
+  <C value="13.902" />
+  <D value="-0.00022284" />
+  <E value="6.2257E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.89899" />
+  <B value="-1118.5" />
+  <C value="-43.998" />
+  <D value="-559660" />
+  <E value="1526700" />
+  <Tmin units="K"  value="329" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.21108" />
+  <B value="4238.311" />
+  <C value="11.14639" />
+  <D value="-0.0000124656" />
+  <E value="2" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="526.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4481E-08" />
+  <B value="0.85223" />
+  <C value="245.71" />
+  <D value="-11928" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029364" />
+  <B value="-108.04" />
+  <C value="-0.7007" />
+  <D value="-0.0040791" />
+  <E value="6.1377E-07" />
+  <Tmin units="K"  value="263.44" />
+  <Tmax units="K"  value="489.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000055504" />
+  <B value="1.4726" />
+  <C value="558.15" />
+  <D value="3563.6" />
+  <Tmin units="K"  value="489.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0049404" />
+  <B value="162.06" />
+  <C value="-4.4354" />
+  <D value="0.0037865" />
+  <E value="-0.0000084256" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="143250" />
+  <B value="-60.213" />
+  <C value="2.6541" />
+  <D value="-0.0035189" />
+  <E value="0.0000014153" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.859" />
+  <B value="3663.7" />
+  <C value="-96.745" />
+  <Tmin units="K"  value="399.53" />
+  <Tmax units="K"  value="574.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.30944" />
+  <B value="-0.030368" />
+  <C value="0.000024892" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="526.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.75581" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.921276E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.4588" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2466" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="250.86" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.00586" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.751145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58069" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.228633" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.5462" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.096" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001931" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.18518" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.561" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16036.72" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2286" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-40-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="738" />
+<CompoundID name="Name"  value="Fluorene" />
+<StructureFormula name="Structure"  value="(C6H4)CH2(C6H4)" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="826" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.524" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="570.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="387.94" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="387.94" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="281.665" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.219" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15327" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.404163" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.3E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09367" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.869E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.901E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.9578E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95089" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.4251E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2313" />
+  <B value="-2.9598E-09" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.43683" />
+  <B value="0.229" />
+  <C value="826" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.8746" />
+  <B value="-13833.84" />
+  <C value="-17.04805" />
+  <D value="0.0000063782" />
+  <E value="2" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="870" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.581E+07" />
+  <B value="1.317" />
+  <C value="-1.4739" />
+  <D value="-0.0034969" />
+  <E value="0.61586" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="181.01" />
+  <B value="986.6" />
+  <C value="-3.6964" />
+  <D value="0.012043" />
+  <E value="-0.000010424" />
+  <Tmin units="K"  value="98.37" />
+  <Tmax units="K"  value="387.94" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="172320" />
+  <B value="813.11" />
+  <C value="3.2969" />
+  <D value="0.023275" />
+  <E value="-0.000018014" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57825" />
+  <B value="-560.42" />
+  <C value="13.575" />
+  <D value="-0.00027161" />
+  <E value="7.5804E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-1.7303" />
+  <B value="1592" />
+  <C value="-617.99" />
+  <D value="-13420" />
+  <E value="-481950" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-33.053" />
+  <B value="2454.9" />
+  <C value="3.4575" />
+  <D value="-0.0000042581" />
+  <E value="2" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7084E-07" />
+  <B value="0.56204" />
+  <C value="373.69" />
+  <D value="-49.196" />
+  <Tmin units="K"  value="570.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.013258" />
+  <B value="-130.68" />
+  <C value="-0.68476" />
+  <D value="-0.0022566" />
+  <E value="3.0043E-07" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017437" />
+  <B value="0.9152" />
+  <C value="500.25" />
+  <D value="62613" />
+  <Tmin units="K"  value="570.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0067753" />
+  <B value="569.69" />
+  <C value="-6.1981" />
+  <D value="0.007814" />
+  <E value="-0.000008755" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-79598" />
+  <B value="1036.6" />
+  <C value="-0.70705" />
+  <D value="0.00017819" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.876" />
+  <B value="4244" />
+  <C value="-116.23" />
+  <Tmin units="K"  value="503.15" />
+  <Tmax units="K"  value="733.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.1567" />
+  <B value="-0.019014" />
+  <C value="0.000011754" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.517307" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.821711E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.486" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="193.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.5595" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0696" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.29618" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.349259" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.128237" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.174687" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.571" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.349259" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21645.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.128237" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="8" />
+  <group id="11"  value="3" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="8" />
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="10"  value="8" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="8" />
+  <group id="8"  value="4" />
+  <group id="10"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="8" />
+  <group id="11"  value="3" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="8" />
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="86-73-7" />
+<Smiles name="SMILES"  value="C1=CC=CC2=C1C(C=CC=C3)=C3C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="65" />
+<CompoundID name="Name"  value="N-tridecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)11CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="675" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.823" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="508.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.76" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.76" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.250959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="184.365" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.24494" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.61" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.198E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1398" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.909E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.1177E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.771E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="663370" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.85E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3955" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.1229E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.0333" />
+  <B value="-0.00042229" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="267.76" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.29787" />
+  <B value="0.24164" />
+  <C value="675" />
+  <D value="0.29254" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.3256" />
+  <B value="-12766.72" />
+  <C value="-17.45421" />
+  <D value="7.99709E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.732822E+07" />
+  <B value="0.667983" />
+  <C value="0.462399" />
+  <D value="-1.329972" />
+  <E value="0.649193" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-30593" />
+  <B value="2351.8" />
+  <C value="-3.2425" />
+  <D value="-0.035182" />
+  <E value="0.00013219" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="255" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37167" />
+  <B value="123.48" />
+  <C value="11.52" />
+  <D value="0.0033147" />
+  <E value="-0.0000011194" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="508.62" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="191240" />
+  <B value="-657.52" />
+  <C value="13.861" />
+  <D value="-0.00011498" />
+  <E value="3.3409E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34822" />
+  <B value="-309.7" />
+  <C value="-296.34" />
+  <D value="-20030" />
+  <E value="-158270" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1858" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-81.45907" />
+  <B value="4309.552" />
+  <C value="10.81921" />
+  <D value="-0.000011395" />
+  <E value="2" />
+  <Tmin units="K"  value="267.67" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0146E-08" />
+  <B value="0.91936" />
+  <C value="136.12" />
+  <D value="2279.8" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.037294" />
+  <B value="-193.16" />
+  <C value="-0.1108" />
+  <D value="-0.0058295" />
+  <E value="0.0000022551" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="508.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000050471" />
+  <B value="1.4806" />
+  <C value="553.99" />
+  <D value="7554.4" />
+  <Tmin units="K"  value="508.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.090941" />
+  <B value="-41.14" />
+  <C value="-1.5711" />
+  <D value="-0.0017455" />
+  <E value="8.9906E-07" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="154200" />
+  <B value="-63.489" />
+  <C value="2.8771" />
+  <D value="-0.0038228" />
+  <E value="0.0000015389" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.322" />
+  <B value="4115.8" />
+  <C value="-88" />
+  <Tmin units="K"  value="410.76" />
+  <Tmax units="K"  value="605.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0999" />
+  <B value="-0.033761" />
+  <C value="0.000029279" />
+  <Tmin units="K"  value="267.67" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.83173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.409996E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.8677" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2465" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="271.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.20131" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0972" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.758814" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.634" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.244445" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="9.2206" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.636" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.42096" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6002" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16139" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2449" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-50-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="805" />
+<CompoundID name="Name"  value="Phenanthrene" />
+<StructureFormula name="Structure"  value="C14H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="869" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.554" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.222" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="610.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="372.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="372.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="29.2781" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="178.229" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.167077" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.470716" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.961E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09956" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.084E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.012E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.0219E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="394500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6463E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4497" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.8282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.1455" />
+  <B value="-0.0018632" />
+  <Tmin units="K"  value="292.61" />
+  <Tmax units="K"  value="372.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4558" />
+  <B value="0.25237" />
+  <C value="869" />
+  <D value="0.24848" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="275.0593" />
+  <B value="-20918.1" />
+  <C value="-36.87097" />
+  <D value="0.0000193212" />
+  <E value="2" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.2455E+07" />
+  <B value="0.28979" />
+  <C value="1.1393" />
+  <D value="-1.9946" />
+  <E value="0.92537" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2147.6" />
+  <B value="1126" />
+  <C value="-5.164" />
+  <D value="0.018832" />
+  <E value="-0.000019443" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="300.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115950" />
+  <B value="-43.82" />
+  <C value="10.979" />
+  <D value="0.0042773" />
+  <E value="-0.0000023928" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66200" />
+  <B value="-509.49" />
+  <C value="13.435" />
+  <D value="-0.000075274" />
+  <E value="6.0366E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.5297" />
+  <B value="-840.06" />
+  <C value="-298.35" />
+  <D value="228040" />
+  <E value="-2652600" />
+  <Tmin units="K"  value="434.62" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.439" />
+  <B value="2565.4" />
+  <C value="1.5699" />
+  <D value="3.8655E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004717" />
+  <B value="0.52643" />
+  <C value="268.46" />
+  <D value="10947" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11683" />
+  <B value="-580.68" />
+  <C value="-0.62222" />
+  <D value="-0.006256" />
+  <E value="4.1638E-07" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092871" />
+  <B value="0.99317" />
+  <C value="671.87" />
+  <D value="29972" />
+  <Tmin units="K"  value="610.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035674" />
+  <B value="5.5102" />
+  <C value="-2.2869" />
+  <D value="-0.00066502" />
+  <E value="-6.3839E-07" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-62288" />
+  <B value="1031.8" />
+  <C value="-0.68956" />
+  <D value="0.00017028" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.518" />
+  <B value="6374.5" />
+  <C value="-31.508" />
+  <Tmin units="K"  value="521.65" />
+  <Tmax units="K"  value="764.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0724" />
+  <B value="-0.027036" />
+  <C value="0.000019559" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.554142" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.328059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.6539" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.0273" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0735" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.11841" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.167078" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.562953" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.3356" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.54" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20142.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.167078" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="10" />
+  <group id="8"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="85-01-8" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="66" />
+<CompoundID name="Name"  value="N-tetradecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)12CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="693" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.894" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="526.76" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="279.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="279.01" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.252685" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="198.392" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.26132" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.644" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.427E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1501" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.044E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.3244E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.599E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="702590" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.507E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4596" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.73282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.6071" />
+  <B value="-1.9678E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26297" />
+  <B value="0.23695" />
+  <C value="693" />
+  <D value="0.26861" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.7696" />
+  <B value="-13265.67" />
+  <C value="-17.07041" />
+  <D value="6.905252E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.216371E+08" />
+  <B value="1.28014" />
+  <C value="-0.352636" />
+  <D value="-1.241735" />
+  <E value="0.826459" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-49970" />
+  <B value="3309.6" />
+  <C value="-15.927" />
+  <D value="0.037566" />
+  <E value="-0.000014829" />
+  <Tmin units="K"  value="29.98" />
+  <Tmax units="K"  value="279.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84257" />
+  <B value="110.32" />
+  <C value="11.507" />
+  <D value="0.0033723" />
+  <E value="-0.0000011739" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="526.73" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="204940" />
+  <B value="-657.01" />
+  <C value="13.943" />
+  <D value="-0.00013248" />
+  <E value="4.0902E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3799" />
+  <B value="-326.59" />
+  <C value="-350.35" />
+  <D value="-74172" />
+  <E value="-110230" />
+  <Tmin units="K"  value="346.5" />
+  <Tmax units="K"  value="1913" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.61448" />
+  <B value="4567.43" />
+  <C value="11.25434" />
+  <D value="-0.0000111579" />
+  <E value="2" />
+  <Tmin units="K"  value="277.65" />
+  <Tmax units="K"  value="554.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4874E-09" />
+  <B value="1.2039" />
+  <C value="-69.467" />
+  <D value="11809" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.039135" />
+  <B value="-208.63" />
+  <C value="-0.066493" />
+  <D value="-0.005844" />
+  <E value="0.0000021711" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="526.73" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-122.4" />
+  <B value="0.86814" />
+  <C value="-5.5021E+08" />
+  <D value="-2.1347E+10" />
+  <Tmin units="K"  value="526.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044248" />
+  <B value="172.78" />
+  <C value="-4.4693" />
+  <D value="0.0037172" />
+  <E value="-0.0000079542" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="152780" />
+  <B value="54.751" />
+  <C value="2.6862" />
+  <D value="-0.0035472" />
+  <E value="0.0000013794" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.35" />
+  <B value="4247.1" />
+  <C value="-94.486" />
+  <Tmin units="K"  value="419.9" />
+  <Tmax units="K"  value="605.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.95817" />
+  <B value="-0.030978" />
+  <C value="0.000024066" />
+  <Tmin units="K"  value="277.65" />
+  <Tmax units="K"  value="554.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.90219" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.768391E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.0005" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.234049" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="291.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50737" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.103" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.762913" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.68207" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.261791" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="9.895" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="8.176001" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010085" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4459" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6399" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16200.36" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2613" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-59-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="67" />
+<CompoundID name="Name"  value="N-pentadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)13CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="708" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.966" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="543.83" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="283.072" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="283.072" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.128872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="212.419" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.27771" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.685" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.729E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1603" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.179E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.5311E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.426E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="741810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.459E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.48184" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.34237E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.3" />
+  <B value="8.5322E-17" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="292.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26611" />
+  <B value="0.24483" />
+  <C value="708" />
+  <D value="0.29579" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="105.7905" />
+  <B value="-12176.19" />
+  <C value="-11.51031" />
+  <D value="2.157424E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="708" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.334182E+08" />
+  <B value="1.382258" />
+  <C value="-0.345375" />
+  <D value="-1.508041" />
+  <E value="0.995233" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31815" />
+  <B value="2469.2" />
+  <C value="-1.2562" />
+  <D value="-0.049055" />
+  <E value="0.0001557" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="270.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44888" />
+  <B value="73.977" />
+  <C value="11.979" />
+  <D value="0.0027483" />
+  <E value="-9.4622E-07" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="218790" />
+  <B value="-655.87" />
+  <C value="14.013" />
+  <D value="-0.00013811" />
+  <E value="4.3573E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37154" />
+  <B value="-266.84" />
+  <C value="-432.43" />
+  <D value="-95870" />
+  <E value="-140270" />
+  <Tmin units="K"  value="353" />
+  <Tmax units="K"  value="1938" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-91.37005" />
+  <B value="4965.801" />
+  <C value="12.24551" />
+  <D value="-0.0000115231" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2252E-08" />
+  <B value="0.90575" />
+  <C value="168.22" />
+  <D value="3233.4" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010742" />
+  <B value="-152.75" />
+  <C value="-0.43594" />
+  <D value="-0.0040245" />
+  <E value="0.0000012373" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000047787" />
+  <B value="1.4851" />
+  <C value="642.9" />
+  <D value="182.7" />
+  <Tmin units="K"  value="543.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.070366" />
+  <B value="-47.05" />
+  <C value="-1.6737" />
+  <D value="-0.0019561" />
+  <E value="9.2369E-07" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="176100" />
+  <B value="-70.041" />
+  <C value="3.3232" />
+  <D value="-0.0044308" />
+  <E value="0.0000017861" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.805" />
+  <B value="4671.3" />
+  <C value="-88.708" />
+  <Tmin units="K"  value="434.49" />
+  <Tmax units="K"  value="633.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.8636" />
+  <B value="-0.035377" />
+  <C value="0.000030301" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.97724" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.007341E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.8762" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="312.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.11" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.770405" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.72539" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.277673" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="10.5694" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="8.716001" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.033625" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6743" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16282.18" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2778" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-62-9" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="717" />
+<CompoundID name="Name"  value="Fluoranthene" />
+<StructureFormula name="Structure"  value="C16H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="905" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.655" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.227" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="655.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="383.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="383.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15.7016" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="202.251" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.184362" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.587526" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.357E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.6E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.126E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.889E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.862E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="418500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.873E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4356" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.695E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.1853" />
+  <B value="-3.0518E-09" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.34656" />
+  <B value="0.22699" />
+  <C value="905" />
+  <D value="0.28508" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="905" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.11781" />
+  <B value="-12362.08" />
+  <C value="-10.3511" />
+  <D value="0.0000032319" />
+  <E value="2" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.442678E+08" />
+  <B value="2.403711" />
+  <C value="-3.376173" />
+  <D value="1.404001" />
+  <E value="0.0327511" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10497" />
+  <B value="781.34" />
+  <C value="-1.5505" />
+  <D value="0.0075603" />
+  <E value="-0.0000095863" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="383.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="241580" />
+  <B value="1296.9" />
+  <C value="0.78013" />
+  <D value="0.023496" />
+  <E value="-0.000011773" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="59938" />
+  <B value="-461.32" />
+  <C value="13.513" />
+  <D value="-0.00005781" />
+  <E value="-5.6701E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-2.6301" />
+  <B value="2731" />
+  <C value="-1234.5" />
+  <D value="-125480" />
+  <E value="-2369300" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-68.502" />
+  <B value="5208.9" />
+  <C value="8.4007" />
+  <D value="-0.0000042979" />
+  <E value="2" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010875" />
+  <B value="0.41309" />
+  <C value="444.51" />
+  <D value="-25.424" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045864" />
+  <B value="-83.397" />
+  <C value="-0.96049" />
+  <D value="-0.0013219" />
+  <E value="-5.1355E-10" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011776" />
+  <B value="0.94788" />
+  <C value="660.84" />
+  <D value="38292" />
+  <Tmin units="K"  value="655.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081035" />
+  <B value="309.57" />
+  <C value="-4.4853" />
+  <D value="0.0031868" />
+  <E value="-0.0000043723" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-68523" />
+  <B value="1184.2" />
+  <C value="-0.82804" />
+  <D value="0.00021044" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.781" />
+  <B value="7232" />
+  <C value="-13.315" />
+  <Tmin units="K"  value="543.15" />
+  <Tmax units="K"  value="795.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.8909" />
+  <B value="-0.030333" />
+  <C value="0.000021268" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615194" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.603459E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.9585" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.239005" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="222.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4092" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0815" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.16484" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.184693" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.187871" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.504" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5027" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.5" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19277.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.184693" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="206-44-0" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="807" />
+<CompoundID name="Name"  value="Pyrene" />
+<StructureFormula name="Structure"  value="C16H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="936" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.66" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="667.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="423.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="423.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="70.0313" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="202.251" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.184923" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.507416" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.152E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.126E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.25E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.272E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.736E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4078" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.63094E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.2841" />
+  <B value="7.4227E-17" />
+  <Tmin units="K"  value="295.85" />
+  <Tmax units="K"  value="305.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54272" />
+  <B value="0.27165" />
+  <C value="936" />
+  <D value="0.41522" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="909.04" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.91405" />
+  <B value="-11628.85" />
+  <C value="-6.184331" />
+  <D value="6.420723E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="936" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.198843E+07" />
+  <B value="-0.224752" />
+  <C value="1.989996" />
+  <D value="-2.139885" />
+  <E value="0.666532" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="909.04" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34428" />
+  <B value="193.16" />
+  <C value="2.988" />
+  <D value="-0.0075382" />
+  <E value="0.0000090005" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="423.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="149400" />
+  <B value="-94.468" />
+  <C value="11.128" />
+  <D value="0.0038746" />
+  <E value="-0.0000019128" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117680" />
+  <B value="-754.3" />
+  <C value="14.068" />
+  <D value="-0.00069165" />
+  <E value="2.0484E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.50411" />
+  <B value="-846.36" />
+  <C value="-528.72" />
+  <D value="-815460" />
+  <E value="-79126" />
+  <Tmin units="K"  value="468" />
+  <Tmax units="K"  value="1731" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-131.9" />
+  <B value="8597.1" />
+  <C value="17.746" />
+  <D value="-0.000010523" />
+  <E value="2" />
+  <Tmin units="K"  value="423.35" />
+  <Tmax units="K"  value="667.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4284E-07" />
+  <B value="0.52754" />
+  <C value="289.9" />
+  <D value="15025" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10165" />
+  <B value="-731.42" />
+  <C value="0.75712" />
+  <D value="-0.0079846" />
+  <E value="0.0000028317" />
+  <Tmin units="K"  value="288.65" />
+  <Tmax units="K"  value="550" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092503" />
+  <B value="0.97453" />
+  <C value="647.35" />
+  <D value="45503" />
+  <Tmin units="K"  value="667.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007329" />
+  <B value="346.59" />
+  <C value="-4.6696" />
+  <D value="0.0036569" />
+  <E value="-0.0000046813" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="909.04" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33015" />
+  <B value="969.84" />
+  <C value="-0.55466" />
+  <D value="0.00011137" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.723" />
+  <B value="6010.1" />
+  <C value="-76.729" />
+  <Tmin units="K"  value="573.15" />
+  <Tmax units="K"  value="833.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.0317" />
+  <B value="-0.026367" />
+  <C value="0.000016432" />
+  <Tmin units="K"  value="423.35" />
+  <Tmax units="K"  value="667.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615194" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.942347E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.6866" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.246034" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="222.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4079" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0807" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.27404" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.507416" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17368" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.187871" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.504" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.1204" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20762.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17368" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="129-00-0" />
+<Smiles name="SMILES"  value="C1=CC2=C3C(=C1)C=CC1=CC=CC(=C31)C=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="710" />
+<CompoundID name="Name"  value="1-phenylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)(C6H5)" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="849" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.656" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="607.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="318.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="318.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.282425" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="204.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.189925" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.530878" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.641E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1165" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.296E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.47E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.71108E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.92E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.3654" />
+  <B value="-3.9158E-09" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36822" />
+  <B value="0.24155" />
+  <C value="849" />
+  <D value="0.29048" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="849" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.2471" />
+  <B value="-14614.66" />
+  <C value="-16.02104" />
+  <D value="5.425361E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0967E+08" />
+  <B value="1.3201" />
+  <C value="-2.3901" />
+  <D value="2.4598" />
+  <E value="-0.96728" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5568.7" />
+  <B value="1416" />
+  <C value="-6.3534" />
+  <D value="0.022718" />
+  <E value="-0.000029424" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="318.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180260" />
+  <B value="-2.5213" />
+  <C value="10.037" />
+  <D value="0.0072742" />
+  <E value="-0.0000049656" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="607.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77509" />
+  <B value="-521.03" />
+  <C value="13.602" />
+  <D value="-0.000094316" />
+  <E value="9.2363E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.47323" />
+  <B value="-716.5" />
+  <C value="-343.69" />
+  <D value="-698990" />
+  <E value="1354800" />
+  <Tmin units="K"  value="424.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.144" />
+  <B value="1205.6" />
+  <C value="-0.56682" />
+  <D value="-0.0000005706" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="678.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000030793" />
+  <B value="0.30949" />
+  <C value="742.15" />
+  <D value="16342" />
+  <Tmin units="K"  value="607.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.052282" />
+  <B value="-21.251" />
+  <C value="-1.3126" />
+  <D value="-0.00073663" />
+  <E value="-3.6032E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="607.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092251" />
+  <B value="0.99676" />
+  <C value="619.05" />
+  <D value="42835" />
+  <Tmin units="K"  value="607.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092731" />
+  <B value="179.4" />
+  <C value="-3.7906" />
+  <D value="0.0020974" />
+  <E value="-0.0000040352" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-76343" />
+  <B value="1203.5" />
+  <C value="-0.80842" />
+  <D value="0.00020016" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.23" />
+  <B value="4746.4" />
+  <C value="-118.29" />
+  <Tmin units="K"  value="513.73" />
+  <Tmax units="K"  value="742.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.84135" />
+  <B value="-0.019285" />
+  <C value="0.000012308" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="678.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.664833" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.810728E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.4811" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="227.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0865" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.097" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.530878" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.189925" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.679631" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.184" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.530878" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19911.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.189925" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="12" />
+  <group id="10"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="12" />
+  <group id="10"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="605-02-7" />
+<Smiles name="SMILES"  value="c1(c2ccccc2)cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="68" />
+<CompoundID name="Name"  value="N-hexadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)14CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="723" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.034" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.241" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="559.98" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.308" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.308" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0922432" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="226.446" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.29411" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.726" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.063E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1706" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.314E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.7417E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.216E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="781020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.3358E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.5924" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.95145E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.1175" />
+  <B value="-0.0038943" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="291.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.23237" />
+  <B value="0.23642" />
+  <C value="723" />
+  <D value="0.28403" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="138.0173" />
+  <B value="-14151.1" />
+  <C value="-16.24379" />
+  <D value="5.027608E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="288.95" />
+  <Tmax units="K"  value="723" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2775E+08" />
+  <B value="0.92612" />
+  <C value="0.52583" />
+  <D value="-2.1415" />
+  <E value="1.2039" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-53303" />
+  <B value="3589.2" />
+  <C value="-16.544" />
+  <D value="0.037386" />
+  <E value="-0.000012242" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="291.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="387360" />
+  <B value="-123.61" />
+  <C value="10.738" />
+  <D value="0.005" />
+  <E value="-0.0000019617" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="560.01" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="232700" />
+  <B value="-655.34" />
+  <C value="14.079" />
+  <D value="-0.0001451" />
+  <E value="4.6597E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.50464" />
+  <B value="-439.04" />
+  <C value="-445.03" />
+  <D value="-345290" />
+  <E value="480120" />
+  <Tmin units="K"  value="361" />
+  <Tmax units="K"  value="1981" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.70059" />
+  <B value="4841.907" />
+  <C value="11.15158" />
+  <D value="-9.617336E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="564.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3203E-07" />
+  <B value="0.72722" />
+  <C value="424.3" />
+  <D value="4562.7" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.006807" />
+  <B value="-152.97" />
+  <C value="-0.44096" />
+  <D value="-0.0038892" />
+  <E value="0.0000012245" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="560.01" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000035961" />
+  <B value="1.5118" />
+  <C value="510.88" />
+  <D value="23814" />
+  <Tmin units="K"  value="560.01" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0036644" />
+  <B value="220.16" />
+  <C value="-4.8209" />
+  <D value="0.0045419" />
+  <E value="-0.0000084745" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="417.3407" />
+  <B value="1457.374" />
+  <C value="-0.708733" />
+  <D value="0.0000535634" />
+  <E value="4.151662E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.891" />
+  <B value="4049.7" />
+  <C value="-127.22" />
+  <Tmin units="K"  value="438.29" />
+  <Tmax units="K"  value="632.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.725" />
+  <B value="-0.033627" />
+  <C value="0.000027668" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="564.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.067071" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.040714E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.3927" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.226854" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="332.94" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64299" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.116" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.775481" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.74714" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.294064" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="11.24" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="9.26" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002741" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5125" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.7078" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16343.54" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2941" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="544-76-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="806" />
+<CompoundID name="Name"  value="Chrysene" />
+<StructureFormula name="Structure"  value="C18H12" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="979" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2390000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.749" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.22" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="714.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="531.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="531.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1028.09" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="228.288" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.223221" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.603008" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.74E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.33E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.12516" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.326E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.698E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.03E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.62E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.6796E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.6375" />
+  <B value="-4.596E-09" />
+  <Tmin units="K"  value="389.35" />
+  <Tmax units="K"  value="398.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.30846" />
+  <B value="0.21991" />
+  <C value="979" />
+  <D value="0.32162" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="979" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="171.0845" />
+  <B value="-19845.5" />
+  <C value="-20.41887" />
+  <D value="4.689312E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2779E+08" />
+  <B value="0.96651" />
+  <C value="-1.3609" />
+  <D value="1.2985" />
+  <E value="-0.49651" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13800" />
+  <B value="1090" />
+  <C value="-0.4" />
+  <D value="6.6062E-09" />
+  <E value="-6.1574E-12" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="531.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="314190" />
+  <B value="239.97" />
+  <C value="9.0147" />
+  <D value="0.0068894" />
+  <E value="-0.0000035685" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124010" />
+  <B value="-668.94" />
+  <C value="14.001" />
+  <D value="-0.0004632" />
+  <E value="1.3177E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.58487" />
+  <B value="-948.55" />
+  <C value="-766.23" />
+  <D value="-2021000" />
+  <E value="1913400" />
+  <Tmin units="K"  value="489.5" />
+  <Tmax units="K"  value="1809.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.612" />
+  <B value="2823.3" />
+  <C value="-0.058693" />
+  <D value="2.8981E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="588.75" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4146E-07" />
+  <B value="0.54263" />
+  <C value="230.08" />
+  <D value="-3.8758" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032525" />
+  <B value="-322.45" />
+  <C value="-0.056163" />
+  <D value="-0.0034819" />
+  <E value="4.4935E-07" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001111" />
+  <B value="0.947" />
+  <C value="689.64" />
+  <D value="45041" />
+  <Tmin units="K"  value="714.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048828" />
+  <B value="1479.4" />
+  <C value="-10.166" />
+  <D value="0.012571" />
+  <E value="-0.0000093954" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-68216" />
+  <B value="1261.7" />
+  <C value="-0.82371" />
+  <D value="0.00019855" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.413" />
+  <B value="5704.7" />
+  <C value="-137.81" />
+  <Tmin units="K"  value="598.33" />
+  <Tmax units="K"  value="867.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.19518" />
+  <B value="-0.020395" />
+  <C value="0.000010474" />
+  <Tmin units="K"  value="588.75" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.724274" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.042713E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.4211" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237646" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="259.02" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0932" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.27729" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.603954" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.210334" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.250494" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.304" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.603954" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19486.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.210334" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="12" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="12" />
+  <group id="8"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="12" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="218-01-9" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C=CC1=C2C=CC2=C1C=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="153" />
+<CompoundID name="Name"  value="Cis-decahydronaphthalene" />
+<StructureFormula name="Structure"  value="(CH2)4CHCH(CH2)4" />
+<Family name="Family"  value="8" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="702.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3242400" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="468.965" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.157166" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.294204" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.206E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17625.3" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09426" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.137E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6924E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.552E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="377730" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9489000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93532" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.89213E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.97" />
+  <B value="-8.742E-09" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="239.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5563" />
+  <B value="0.26613" />
+  <C value="702.25" />
+  <D value="0.2872" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.51" />
+  <B value="-10671" />
+  <C value="-16.446" />
+  <D value="0.0000090618" />
+  <E value="2" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.893812E+07" />
+  <B value="1.120046" />
+  <C value="-0.590284" />
+  <D value="-0.648808" />
+  <E value="0.601197" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5463.3" />
+  <B value="610.38" />
+  <C value="3.7884" />
+  <D value="-0.041328" />
+  <E value="0.00011576" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="220" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="22875" />
+  <B value="183.22" />
+  <C value="9.7191" />
+  <D value="0.0080113" />
+  <E value="-0.0000053261" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90923" />
+  <B value="-788.66" />
+  <C value="14.021" />
+  <D value="-0.00046171" />
+  <E value="0.0000001235" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037954" />
+  <B value="-145.9" />
+  <C value="-175.13" />
+  <D value="-52628" />
+  <E value="40101" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="693.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-102.87" />
+  <B value="5387.9" />
+  <C value="14.086" />
+  <D value="-0.000014127" />
+  <E value="2" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2745E-07" />
+  <B value="0.51364" />
+  <C value="404.18" />
+  <D value="49.274" />
+  <Tmin units="K"  value="468.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.087597" />
+  <B value="-101" />
+  <C value="-1.0253" />
+  <D value="-0.0090174" />
+  <E value="0.0000045064" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000017593" />
+  <B value="1.7742" />
+  <C value="317.62" />
+  <D value="37605" />
+  <Tmin units="K"  value="468.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0073102" />
+  <B value="159.63" />
+  <C value="-4.1152" />
+  <D value="0.0030369" />
+  <E value="-0.0000064896" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45272" />
+  <B value="665.72" />
+  <C value="0.42113" />
+  <D value="-0.00097745" />
+  <E value="4.2304E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.082" />
+  <B value="3127.3" />
+  <C value="-102.92" />
+  <Tmin units="K"  value="424.98" />
+  <Tmax units="K"  value="627.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.7247" />
+  <B value="-0.061114" />
+  <C value="0.000064934" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.52096" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.12599E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="395.2259" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264744" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="200.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.23541" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0321597" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.90094" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.294204" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154615" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.289" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00602" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.63311" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.294204" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17625.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154615" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="8" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="493-01-6" />
+<Smiles name="SMILES"  value="C1C[C@]2(CCCC[C@]2(CC1)([H]))([H])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="154" />
+<CompoundID name="Name"  value="Trans-decahydronaphthalene" />
+<StructureFormula name="Structure"  value="(CH2)4CHCH(CH2)4" />
+<Family name="Family"  value="8" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="687.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2837100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="460.46" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.77" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.14983" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.159325" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253611" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17042.7" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09426" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.137E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8217E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.355E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374550" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.441E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92251" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.88088E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.68" />
+  <B value="-7.1526E-09" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="252.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5599" />
+  <B value="0.26991" />
+  <C value="687.05" />
+  <D value="0.2952" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.0059" />
+  <B value="-9619.314" />
+  <C value="-13.21808" />
+  <D value="6.974439E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.646155E+07" />
+  <B value="0.918445" />
+  <C value="0.395142" />
+  <D value="-2.202434" />
+  <E value="1.398354" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="248890" />
+  <B value="-17.544" />
+  <C value="0.10636" />
+  <D value="-0.00028659" />
+  <E value="2.8955E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="252.29" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110470" />
+  <B value="-81.629" />
+  <C value="10.313" />
+  <D value="0.0068781" />
+  <E value="-0.0000045952" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81351" />
+  <B value="-707.34" />
+  <C value="13.793" />
+  <D value="-0.00018944" />
+  <E value="2.0365E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.02487" />
+  <B value="-133.31" />
+  <C value="-173.25" />
+  <D value="-48380" />
+  <E value="36572" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="673.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-47.21" />
+  <B value="3037.9" />
+  <C value="5.4682" />
+  <D value="-0.0000042842" />
+  <E value="2" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7061E-07" />
+  <B value="0.60485" />
+  <C value="153.09" />
+  <D value="81.09" />
+  <Tmin units="K"  value="460.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.087771" />
+  <B value="45.415" />
+  <C value="-2.1613" />
+  <D value="-0.0061939" />
+  <E value="0.0000022159" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-13.928" />
+  <B value="0.65448" />
+  <C value="-2837300" />
+  <D value="-2.043E+09" />
+  <Tmin units="K"  value="460.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0072992" />
+  <B value="137.99" />
+  <C value="-3.9696" />
+  <D value="0.0025043" />
+  <E value="-0.0000061602" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17918" />
+  <B value="447.75" />
+  <C value="1.0485" />
+  <D value="-0.0017445" />
+  <E value="7.5379E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.316" />
+  <B value="3335.5" />
+  <C value="-80.854" />
+  <Tmin units="K"  value="413.15" />
+  <Tmax units="K"  value="616.9" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.8573" />
+  <B value="-0.048752" />
+  <C value="0.000050406" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.52096" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.180246E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="255.6104" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268306" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="200.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.23673" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0652" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.87461" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.253611" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159325" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.289" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.011339" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.61125" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253611" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17042.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159325" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="8" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="493-02-7" />
+<Smiles name="SMILES"  value="C1C[C@@]2(CCCC[C@]2(CC1)([H]))([H])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1405" />
+<CompoundID name="Name"  value="Methyl tert-butyl ether" />
+<StructureFormula name="Structure"  value="CH3OC(CH3)3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3430000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="328.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.535656" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.119887" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.266059" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.179E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.08E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.835E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.175E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="357800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7600000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88771" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1049E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.4" />
+  <B value="-0.0084317" />
+  <Tmin units="K"  value="65.82" />
+  <Tmax units="K"  value="164.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.013" />
+  <B value="0.29119" />
+  <C value="513.95" />
+  <D value="0.39929" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="513.94" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.31041" />
+  <B value="-5322.676" />
+  <C value="-6.212745" />
+  <D value="3.951136E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.685222E+07" />
+  <B value="4.561833" />
+  <C value="-12.06881" />
+  <D value="13.61234" />
+  <E value="-5.569118" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11840" />
+  <B value="1396" />
+  <C value="-5.8523" />
+  <D value="-0.0092711" />
+  <E value="0.00016154" />
+  <Tmin units="K"  value="11.5" />
+  <Tmax units="K"  value="164.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135550" />
+  <B value="-54.229" />
+  <C value="8.6558" />
+  <D value="0.010329" />
+  <E value="-0.0000078206" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="328.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89729" />
+  <B value="-682.14" />
+  <C value="12.912" />
+  <D value="0.000021441" />
+  <E value="-2.0192E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18862" />
+  <B value="-199.25" />
+  <C value="-24.367" />
+  <D value="-1558.5" />
+  <E value="1368.5" />
+  <Tmin units="K"  value="248.6" />
+  <Tmax units="K"  value="1809.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.136" />
+  <B value="821.59" />
+  <C value="-0.64419" />
+  <D value="4.8322E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="449.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6185E-07" />
+  <B value="0.73614" />
+  <C value="130.03" />
+  <D value="-727.78" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.073008" />
+  <B value="306.73" />
+  <C value="-6.3111" />
+  <D value="0.019235" />
+  <E value="-0.000037933" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="460.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023034" />
+  <B value="0.92128" />
+  <C value="391.6" />
+  <D value="80274" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.032821" />
+  <B value="-29.327" />
+  <C value="-1.9813" />
+  <D value="-0.0032789" />
+  <E value="0.0000010144" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17448" />
+  <B value="439.33" />
+  <C value="-0.18821" />
+  <D value="0.000026432" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.427" />
+  <B value="2381.9" />
+  <C value="-60.58" />
+  <Tmin units="K"  value="299.35" />
+  <Tmax units="K"  value="444.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.2431" />
+  <B value="-0.0329" />
+  <C value="0.000034374" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="449.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.330153" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.11761E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.0697" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267213" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.07186" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0447" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.745835" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.266059" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119887" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0678" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.632" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.956082" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.053074" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.32865" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.266059" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.119887" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1634-04-4" />
+<Smiles name="SMILES"  value="COC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1427" />
+<CompoundID name="Name"  value="Methyl tert-pentyl ether" />
+<StructureFormula name="Structure"  value="CH3OC(CH3)2CH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="534" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.386" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="359.51" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.133437" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.298071" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.465E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.90339E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.043E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.054E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.137E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="408000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0449" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.71229E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.1" />
+  <B value="-6.0195E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68843" />
+  <B value="0.26574" />
+  <C value="534" />
+  <D value="0.27067" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.09" />
+  <B value="-8433.7" />
+  <C value="-15.94" />
+  <D value="0.000013112" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.112039E+07" />
+  <B value="2.144847" />
+  <C value="-4.987322" />
+  <D value="5.569725" />
+  <E value="-2.294462" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="184600" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96936" />
+  <B value="-844.6" />
+  <C value="17.426" />
+  <D value="-0.01423" />
+  <E value="0.000014683" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86134" />
+  <B value="-503.3" />
+  <C value="12.828" />
+  <D value="0.00026316" />
+  <E value="-9.3404E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24596" />
+  <B value="-275.48" />
+  <C value="-36.668" />
+  <D value="-851.22" />
+  <E value="-5476.3" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="1947" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.271" />
+  <B value="991.37" />
+  <C value="-0.019082" />
+  <D value="-2.1664E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="359.51" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.9893E-08" />
+  <B value="0.83491" />
+  <C value="61.227" />
+  <D value="-3034.8" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10613" />
+  <B value="12.391" />
+  <C value="-1.3082" />
+  <D value="-0.00026248" />
+  <E value="-0.0000013654" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="425" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.12493" />
+  <B value="0.14978" />
+  <C value="1706.4" />
+  <D value="1349200" />
+  <Tmin units="K"  value="359.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083071" />
+  <B value="83.854" />
+  <C value="-3.8901" />
+  <D value="0.003534" />
+  <E value="-0.000010373" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3885.8" />
+  <B value="620.93" />
+  <C value="-0.34528" />
+  <D value="0.000073697" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.355" />
+  <B value="3194.9" />
+  <C value="-35.861" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.2135" />
+  <B value="-0.051268" />
+  <C value="0.000067114" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="359.51" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.717114E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264404" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.84722" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0516" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.77448" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.298071" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133437" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7422" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.172" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.905443" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010549" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7281" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.298071" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133437" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="994-05-8" />
+<Smiles name="SMILES"  value="COC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1111" />
+<CompoundID name="Name"  value="2-methyl-2-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="545" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3790000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.323" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="264.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="264.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="161.196" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1095" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.478" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06261" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.17E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.297E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.652E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="362800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4456000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78274" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0391E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.041" />
+  <B value="-0.0051748" />
+  <Tmin units="K"  value="105.74" />
+  <Tmax units="K"  value="264.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.71131" />
+  <B value="0.24603" />
+  <C value="545" />
+  <D value="0.25077" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="529" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="111.96" />
+  <B value="-9620.4" />
+  <C value="-12.673" />
+  <D value="0.0000022964" />
+  <E value="2" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.022286E+08" />
+  <B value="1.245977" />
+  <C value="-0.515176" />
+  <D value="-0.350588" />
+  <E value="0.262112" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3330500" />
+  <B value="79184" />
+  <C value="-676.61" />
+  <D value="2.5428" />
+  <E value="-0.0035268" />
+  <Tmin units="K"  value="152.5" />
+  <Tmax units="K"  value="214.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145240" />
+  <B value="-80.948" />
+  <C value="10.283" />
+  <D value="0.0042992" />
+  <E value="0.0000021924" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="375.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74328" />
+  <B value="-529.61" />
+  <C value="12.79" />
+  <D value="0.000073612" />
+  <E value="-9.0525E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2317" />
+  <B value="-245.23" />
+  <C value="-25.84" />
+  <D value="30078" />
+  <E value="-127780" />
+  <Tmin units="K"  value="271.85" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-783.84" />
+  <B value="31606" />
+  <C value="120.39" />
+  <D value="-0.00015466" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="434.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8945E-07" />
+  <B value="0.71394" />
+  <C value="173.97" />
+  <D value="-1855.4" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.052544" />
+  <B value="-120.78" />
+  <C value="-0.20746" />
+  <D value="-0.0081579" />
+  <E value="0.0000039201" />
+  <Tmin units="K"  value="163.55" />
+  <Tmax units="K"  value="433.55" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1156.2" />
+  <B value="0.93842" />
+  <C value="5.9829E+09" />
+  <D value="-1.5337E+11" />
+  <Tmin units="K"  value="375.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.004975" />
+  <B value="709.64" />
+  <C value="-10.143" />
+  <D value="0.02288" />
+  <E value="-0.000029901" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35603" />
+  <B value="226.55" />
+  <C value="0.55283" />
+  <D value="-0.00088824" />
+  <E value="3.7199E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.923" />
+  <B value="2458.2" />
+  <C value="-113.51" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="484.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="19.92" />
+  <B value="-0.12833" />
+  <C value="0.0001442" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="434.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.161351E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.315" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248616" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.08387" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0428" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.478" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1095" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5972" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.284" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.0988" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.478" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1095" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-85-4" />
+<Smiles name="SMILES"  value="CCC(C)(C)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="904" />
+<CompoundID name="Name"  value="Nitrogen trioxide" />
+<StructureFormula name="Structure"  value="O2NNO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="451" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6990000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.195" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.386" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15.1767" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.0116" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0531885" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.431227" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.346E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="32600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.078E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.026378" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.407E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.2843E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.39727E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.2843E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.709" />
+  <B value="-0.0033974" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="20.15" />
+  <Tmax units="K"  value="170" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.7664" />
+  <B value="0.37489" />
+  <C value="451" />
+  <D value="0.040027" />
+  <E value="0" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="275.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.96" />
+  <B value="-7584.5" />
+  <C value="-17.9" />
+  <D value="0.000022014" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="425" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1243E+07" />
+  <B value="0.17457" />
+  <C value="-0.20195" />
+  <D value="-0.16172" />
+  <E value="0.24757" />
+  <Tmin units="K"  value="246" />
+  <Tmax units="K"  value="255.5" />
+  </HeatOfVaporization>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37365" />
+  <B value="-232.94" />
+  <C value="10.977" />
+  <D value="0.00031169" />
+  <E value="-1.1931E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-3.7052E-07" />
+  <B value="2.2773E-08" />
+  <Tmin units="K"  value="276.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29751" />
+  <B value="158.25" />
+  <C value="-0.13576" />
+  <D value="0.000041065" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.203" />
+  <B value="2466.4" />
+  <C value="-44.307" />
+  <Tmin units="K"  value="272" />
+  <Tmax units="K"  value="399.5" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.139908" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.391187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="956.7623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.386" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0111154" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.431227" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0531885" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.738827" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.7628" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.431227" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="32600" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0531885" />
+<CAS name="CAS number"  value="10544-73-7" />
+<Smiles name="SMILES"  value="O=N(=O)N=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="906" />
+<CompoundID name="Name"  value="Nitrogen tetroxide" />
+<StructureFormula name="Structure"  value="O2NNO2" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="431.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.00312E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.08249" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="261.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18558.7" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.011" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06407" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.853274" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.918E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24123.32" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03008" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.96E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9162960" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.785E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304320" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.465E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.29223" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1983170" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.508" />
+  <B value="-2.416E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="87.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.117" />
+  <B value="0.32671" />
+  <C value="431.15" />
+  <D value="0.20832" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.419" />
+  <B value="-5432" />
+  <C value="-7.7259" />
+  <D value="0.00001711" />
+  <E value="2" />
+  <Tmin units="K"  value="252.77" />
+  <Tmax units="K"  value="431.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0678E+07" />
+  <B value="0.17744" />
+  <C value="-0.16521" />
+  <D value="-0.11792" />
+  <E value="0.13193" />
+  <Tmin units="K"  value="294.25" />
+  <Tmax units="K"  value="303.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10482" />
+  <B value="1238.4" />
+  <C value="-7.4993" />
+  <D value="0.025528" />
+  <E value="-0.000031204" />
+  <Tmin units="K"  value="30.18" />
+  <Tmax units="K"  value="300" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112080" />
+  <B value="15.081" />
+  <C value="5.5387" />
+  <D value="0.025083" />
+  <E value="-0.000030338" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39950.82" />
+  <B value="-260.1236" />
+  <C value="11.41281" />
+  <D value="0.000224817" />
+  <E value="-1.049284E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-340.1" />
+  <B value="10957" />
+  <C value="53.641" />
+  <D value="-0.00011365" />
+  <E value="2" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000080298" />
+  <B value="0.2905" />
+  <C value="212.56" />
+  <D value="117290" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11499" />
+  <B value="26916" />
+  <C value="-297.75" />
+  <D value="1.089" />
+  <E value="-0.0013592" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019664" />
+  <B value="1.1277" />
+  <C value="265.48" />
+  <D value="-210280" />
+  <Tmin units="K"  value="380" />
+  <Tmax units="K"  value="400" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28036" />
+  <B value="221.65" />
+  <C value="-0.18724" />
+  <D value="0.000054692" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.96278" />
+  <B value="-1250" />
+  <C value="-7.5" />
+  <Tmin units="K"  value="268.5945" />
+  <Tmax units="K"  value="438.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.91" />
+  <B value="5073.2" />
+  <C value="35.325" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="386.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4749" />
+  <B value="-0.014594" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.159449" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665358E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="148.6014" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.233" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-4.24638" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00859559" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46343" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.853274" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.06407" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.982861" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.984" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.80727" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.853274" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24123.32" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.06407" />
+<CAS name="CAS number"  value="10544-72-6" />
+<Smiles name="SMILES"  value="O=N(=O)N(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="913" />
+<CompoundID name="Name"  value="Helium-4" />
+<StructureFormula name="Structure"  value="He" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="5.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="227000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0573" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.301" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="4.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="1.763" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="1.763" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1478.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="4.003" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03254" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.39" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="1222" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.00692" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="126044" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="50000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="-0.1555" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="47.969" />
+  <B value="7.3751E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="1.73" />
+  <Tmax units="K"  value="11.23" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.31844" />
+  <B value="0.089499" />
+  <C value="5.21" />
+  <D value="0.063807" />
+  <Tmin units="K"  value="1.2" />
+  <Tmax units="K"  value="5.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="8.8804" />
+  <B value="-4.8932" />
+  <C value="2.5648" />
+  <D value="0.0062779" />
+  <E value="2" />
+  <Tmin units="K"  value="1.4" />
+  <Tmax units="K"  value="11.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="191120" />
+  <B value="4.6881" />
+  <C value="-12.652" />
+  <D value="12.947" />
+  <E value="-4.5859" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="5.18" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-72432" />
+  <B value="14.864" />
+  <C value="0.90909" />
+  <D value="1.9106" />
+  <E value="-0.057997" />
+  <Tmin units="K"  value="3.7" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="1" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.016091" />
+  <B value="-0.3836" />
+  <C value="-3.2519E-07" />
+  <D value="3.3839E-14" />
+  <E value="-6.7038E-16" />
+  <Tmin units="K"  value="2" />
+  <Tmax units="K"  value="150" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-21.436" />
+  <B value="10.949" />
+  <C value="5.7389" />
+  <D value="-0.11646" />
+  <E value="2" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3098E-07" />
+  <B value="0.71183" />
+  <C value="-10.485" />
+  <D value="126.3" />
+  <Tmin units="K"  value="14.4" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19278" />
+  <B value="-0.8853" />
+  <C value="-0.83633" />
+  <D value="-0.19115" />
+  <E value="0.016867" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00226" />
+  <B value="0.7305" />
+  <C value="-18.63" />
+  <D value="440" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00015359" />
+  <B value="-20.248" />
+  <C value="20.138" />
+  <D value="-11.865" />
+  <E value="1.2499" />
+  <Tmin units="K"  value="1.25" />
+  <Tmax units="K"  value="4.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20786" />
+  <B value="7.6827E-14" />
+  <C value="-1.6203E-16" />
+  <D value="2.6645E-20" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.055" />
+  <Tmin units="K"  value="1" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="15.213" />
+  <B value="15.497" />
+  <C value="-0.0068635" />
+  <Tmin units="K"  value="3.15" />
+  <Tmax units="K"  value="4.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="0" />
+  <B value="0" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.037046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.038669E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="4.496969" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.301" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="2.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00399858" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.124064" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.39" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.03254" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.456163" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.592" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.39" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="1222" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.03254" />
+<GCmethod name="PPR78" >
+  <group id="23"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="200"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-59-7" />
+<Smiles name="SMILES"  value="[He]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="917" />
+<CompoundID name="Name"  value="Fluorine" />
+<StructureFormula name="Structure"  value="F2" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="144.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5215000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0662" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="84.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="53.53" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="53.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="252" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="37.997" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02516" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.051" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.081E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0142" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.5E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="202690" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="510360" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.57194" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="54.682" />
+  <B value="-0.11345" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="23" />
+  <Tmax units="K"  value="53.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.7003" />
+  <B value="0.23171" />
+  <C value="144.42" />
+  <D value="0.21541" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.41" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="19.18299" />
+  <B value="-840.6862" />
+  <C value="0.560464" />
+  <D value="-0.0000352006" />
+  <E value="2" />
+  <Tmin units="K"  value="53.45" />
+  <Tmax units="K"  value="144.41" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7497E+07" />
+  <B value="7.2112" />
+  <C value="-17.699" />
+  <D value="17.895" />
+  <E value="-6.7781" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.41" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25122" />
+  <B value="3384" />
+  <C value="-116.81" />
+  <D value="2.5952" />
+  <E value="-0.020438" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="53.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56031" />
+  <B value="-8382.1" />
+  <C value="267.49" />
+  <D value="-2.7228" />
+  <E value="0.0096889" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="110" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29021.05" />
+  <B value="-721.5995" />
+  <C value="10.44015" />
+  <D value="-0.00105401" />
+  <E value="3.331903E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.03545" />
+  <B value="-12.768" />
+  <C value="-0.0732" />
+  <D value="0.032456" />
+  <E value="-0.023131" />
+  <Tmin units="K"  value="79.37" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.2895" />
+  <B value="-86.903" />
+  <C value="-3.7445" />
+  <D value="0.0000058477" />
+  <E value="2" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="140" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0875E-07" />
+  <B value="0.64956" />
+  <C value="73.747" />
+  <D value="-637.02" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15422" />
+  <B value="9.0003" />
+  <C value="-1.0608" />
+  <D value="-0.0018487" />
+  <E value="-0.00001682" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="130" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00012664" />
+  <B value="0.93229" />
+  <C value="1.6645" />
+  <D value="205.53" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="700" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0023955" />
+  <B value="117.16" />
+  <C value="-8.211" />
+  <D value="0.06394" />
+  <E value="-0.00037668" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27829" />
+  <B value="3.8829" />
+  <C value="0.043734" />
+  <D value="-0.000066017" />
+  <E value="2.7438E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.897" />
+  <B value="777.75" />
+  <C value="-1.967" />
+  <Tmin units="K"  value="86.6" />
+  <Tmax units="K"  value="129.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.905" />
+  <B value="-0.027953" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="140" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0756619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.361966E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="106.6577" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.288" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="29.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00883306" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.5" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.051" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.02516" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.75" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.051" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.02516" />
+<Umr name="UMR" >
+  <group id="206"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-41-4" />
+<Smiles name="SMILES"  value="FF" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="920" />
+<CompoundID name="Name"  value="Krypton" />
+<StructureFormula name="Structure"  value="Kr" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="209.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0912" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="119.74" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="115.77" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="115.78" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="73149.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="83.8" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03463" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.005" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15280" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="163975" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1640130" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.47685" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="33.723" />
+  <B value="-1.7802E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="125.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.5742" />
+  <B value="0.26395" />
+  <C value="209.4" />
+  <D value="0.25018" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="209.39" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.208" />
+  <B value="-1609" />
+  <C value="-4.9593" />
+  <D value="0.0000342" />
+  <E value="2" />
+  <Tmin units="K"  value="109.95" />
+  <Tmax units="K"  value="209.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.7515E+07" />
+  <B value="2.6595" />
+  <C value="-6.0031" />
+  <D value="6.068" />
+  <E value="-2.2776" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="209.39" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36193" />
+  <B value="105.13" />
+  <C value="3.9876" />
+  <D value="0.048456" />
+  <E value="-0.0001134" />
+  <Tmin units="K"  value="115.78" />
+  <Tmax units="K"  value="125.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20754" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.047877" />
+  <B value="-27.168" />
+  <C value="-0.22682" />
+  <D value="-0.035005" />
+  <E value="0.047036" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1073.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7422" />
+  <B value="-0.3975" />
+  <C value="-0.00054036" />
+  <D value="-9.2221E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="119.75" />
+  <Tmax units="K"  value="129.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018282" />
+  <B value="0.5384" />
+  <C value="165.83" />
+  <D value="-1432.5" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22624" />
+  <B value="-10.133" />
+  <C value="-0.77044" />
+  <D value="-0.0023081" />
+  <E value="-0.0000013009" />
+  <Tmin units="K"  value="115" />
+  <Tmax units="K"  value="209.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00075369" />
+  <B value="0.52925" />
+  <C value="198.58" />
+  <D value="-4150.2" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0038578" />
+  <B value="222.03" />
+  <C value="-8.5239" />
+  <D value="0.041178" />
+  <E value="-0.00015364" />
+  <Tmin units="K"  value="115.78" />
+  <Tmax units="K"  value="209.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.332" />
+  <B value="977.58" />
+  <C value="-8.874" />
+  <Tmin units="K"  value="125.94" />
+  <Tmax units="K"  value="184.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-7.7494" />
+  <B value="-1.046E-09" />
+  <Tmin units="K"  value="119.75" />
+  <Tmax units="K"  value="129.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0912" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.740867E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="154.7757" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.288" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="24.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0123743" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.42087" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.03463" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.12" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.005" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15280" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.03463" />
+<Umr name="UMR" >
+  <group id="203"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7439-90-9" />
+<Smiles name="SMILES"  value="[Kr]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="959" />
+<CompoundID name="Name"  value="Xenon" />
+<StructureFormula name="Structure"  value="Xe" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="289.74" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="165.01" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="81667.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="131.29" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.006" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="169578" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2294950" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.48315" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="26.963" />
+  <B value="-2.7339E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="170.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.4063" />
+  <B value="0.28552" />
+  <C value="289.74" />
+  <D value="0.28967" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="31.497" />
+  <B value="-1758.9" />
+  <C value="-1.8727" />
+  <D value="0.0000091652" />
+  <E value="2" />
+  <Tmin units="K"  value="155.55" />
+  <Tmax units="K"  value="290" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.740633E+07" />
+  <B value="-0.233725" />
+  <C value="3.148357" />
+  <D value="-4.995262" />
+  <E value="2.477111" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44610" />
+  <B value="-221" />
+  <C value="1.0811" />
+  <D value="0.026515" />
+  <E value="-0.000013257" />
+  <Tmin units="K"  value="163.15" />
+  <Tmax units="K"  value="172.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.065789" />
+  <B value="-49.796" />
+  <C value="-0.7443" />
+  <D value="-0.092289" />
+  <E value="0.83555" />
+  <Tmin units="K"  value="144.87" />
+  <Tmax units="K"  value="1448.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7421" />
+  <B value="-0.53776" />
+  <C value="-0.00050184" />
+  <D value="-5.2934E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="165.02" />
+  <Tmax units="K"  value="174.52" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014055" />
+  <B value="0.57778" />
+  <C value="188.46" />
+  <D value="-312.26" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012175" />
+  <B value="143.58" />
+  <C value="-4.2655" />
+  <D value="0.011041" />
+  <E value="-0.000032937" />
+  <Tmin units="K"  value="145.9" />
+  <Tmax units="K"  value="270" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026719" />
+  <B value="0.62046" />
+  <C value="215.6" />
+  <D value="-8144.4" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0032828" />
+  <B value="498.28" />
+  <C value="-11.457" />
+  <D value="0.046655" />
+  <E value="-0.00011349" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.626" />
+  <B value="1889.6" />
+  <C value="22.713" />
+  <Tmin units="K"  value="174.87" />
+  <Tmax units="K"  value="260" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-7.7494" />
+  <B value="-6.6574E-10" />
+  <Tmin units="K"  value="165.02" />
+  <Tmax units="K"  value="174.52" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.118" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.110548E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="208.8524" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.286" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="32.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0164353" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.95262" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.006" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.04291" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.13" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.13" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.006" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15910" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.04291" />
+<Umr name="UMR" >
+  <group id="204"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-63-3" />
+<Smiles name="SMILES"  value="[Xe]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="924" />
+<CompoundID name="Name"  value="Ozone" />
+<StructureFormula name="Structure"  value="O3" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="261.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0894" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="161.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="22.1499" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="80.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.734621" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="47.998" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0354" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.224" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.544E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.016687" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.175E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.431E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.63164E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="238823" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.755282" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.42671E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="36.026" />
+  <B value="-0.000044231" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="77.15" />
+  <Tmax units="K"  value="86.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6432" />
+  <B value="0.26544" />
+  <C value="261.05" />
+  <D value="0.25239" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="261" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="33.80011" />
+  <B value="-2066.264" />
+  <C value="-1.865143" />
+  <D value="3.696996E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="261" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.6254E+07" />
+  <B value="-0.073447" />
+  <C value="0.14823" />
+  <D value="0.62225" />
+  <E value="-0.43277" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="261" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="40260" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="261.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64500" />
+  <B value="-60.205" />
+  <C value="9.9787" />
+  <D value="0.0080434" />
+  <E value="-0.000010929" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="150" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32859.57" />
+  <B value="-604.7407" />
+  <C value="10.91207" />
+  <D value="-0.000287995" />
+  <E value="2.632407E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.062399" />
+  <B value="-35.678" />
+  <C value="-1.1646" />
+  <D value="22.22" />
+  <E value="-31.557" />
+  <Tmin units="K"  value="130.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.036" />
+  <B value="815.78" />
+  <C value="4.8971" />
+  <D value="-0.000047646" />
+  <E value="2" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="208.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001896" />
+  <B value="0.78539" />
+  <C value="36.908" />
+  <D value="-2041.9" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.23255" />
+  <B value="-678.09" />
+  <C value="-6.5705" />
+  <D value="-0.074977" />
+  <E value="0.00025391" />
+  <Tmin units="K"  value="77.35" />
+  <Tmax units="K"  value="161.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0043907" />
+  <B value="0.47832" />
+  <C value="709.48" />
+  <D value="233.72" />
+  <Tmin units="K"  value="161.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083875" />
+  <B value="70.417" />
+  <C value="-4.4511" />
+  <D value="0.011555" />
+  <E value="-0.000053029" />
+  <Tmin units="K"  value="77.2" />
+  <Tmax units="K"  value="261" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34139" />
+  <B value="-31.67" />
+  <C value="0.26033" />
+  <D value="-0.00035752" />
+  <E value="1.5074E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.205" />
+  <B value="1378.5" />
+  <C value="-19.313" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="232.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.661" />
+  <B value="-0.027987" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="208.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0888007" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.892771E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="84.53657" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0135255" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.25782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.224" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0354" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.27" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.224" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0354" />
+<Umr name="UMR" >
+  <group id="211"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="10028-15-6" />
+<Smiles name="SMILES"  value="O=[O+][O-]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1893" />
+<CompoundID name="Name"  value="Carbonyl sulfide" />
+<StructureFormula name="Structure"  value="OCS" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="375.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6349000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.14" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="223.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="101.325" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.0751" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0510474" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.137779" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.176E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0259" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.05247E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3841E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.692E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="231470" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4725000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.4827E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.192" />
+  <B value="-0.022652" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.72" />
+  <Tmax units="K"  value="134.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8896" />
+  <B value="0.27226" />
+  <C value="378.81" />
+  <D value="0.25315" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.34266" />
+  <B value="-3813.497" />
+  <C value="-8.620386" />
+  <D value="0.0000180431" />
+  <E value="2" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0555E+07" />
+  <B value="0.84937" />
+  <C value="-0.32129" />
+  <D value="-0.52716" />
+  <E value="0.40226" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="365.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16418" />
+  <B value="1744.6" />
+  <C value="-20.143" />
+  <D value="0.10176" />
+  <E value="-0.00014754" />
+  <Tmin units="K"  value="15.53" />
+  <Tmax units="K"  value="131.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71808" />
+  <B value="-8528.4" />
+  <C value="73.159" />
+  <D value="-0.16854" />
+  <E value="0.00016953" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28351" />
+  <B value="-363.89" />
+  <C value="10.752" />
+  <D value="-0.00019902" />
+  <E value="7.0945E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.07781" />
+  <B value="-70.275" />
+  <C value="-3.5992" />
+  <D value="374.85" />
+  <E value="-723.14" />
+  <Tmin units="K"  value="189.4" />
+  <Tmax units="K"  value="1889.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.091" />
+  <B value="494.42" />
+  <C value="-0.20653" />
+  <D value="-6.4588E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000010184" />
+  <B value="0.2938" />
+  <C value="1012.7" />
+  <D value="-12250" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032218" />
+  <B value="-41.011" />
+  <C value="-0.83624" />
+  <D value="-0.0051268" />
+  <E value="0.0000012154" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0012701" />
+  <B value="0.60437" />
+  <C value="545.23" />
+  <D value="3627.6" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0021071" />
+  <B value="518.04" />
+  <C value="-11.034" />
+  <D value="0.04165" />
+  <E value="-0.000087273" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="365.93" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21713" />
+  <B value="84.752" />
+  <C value="-0.070005" />
+  <D value="0.000020554" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.073" />
+  <B value="1954.8" />
+  <C value="-19.521" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="333.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2041" />
+  <B value="-0.017582" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.137387" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.621734E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="225.718" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="44.91" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0194842" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.24" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.096" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0510474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.707317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.620988" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.59245" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.02642" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.096" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14270" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0510474" />
+<GCmethod name="PPR78" >
+  <group id="227"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="227"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="463-58-1" />
+<Smiles name="SMILES"  value="O=C=S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1940" />
+<CompoundID name="Name"  value="Sulfur hexafluoride" />
+<StructureFormula name="Structure"  value="SF6" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="318.72" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3760000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1984" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.282" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="209.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="222.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="232670" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="146.056" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07981" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.208" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="7681" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0468" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.209E+09" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.1053E+09" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="291710" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5024200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93506" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="9.24E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.46" />
+  <B value="-3.8147E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="191.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0016" />
+  <B value="0.23435" />
+  <C value="318.74" />
+  <D value="0.24027" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.73" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-17.60907" />
+  <B value="-1028.369" />
+  <C value="6.556299" />
+  <D value="-0.0000178874" />
+  <E value="2" />
+  <Tmin units="K"  value="215.15" />
+  <Tmax units="K"  value="318.69" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0769E+07" />
+  <B value="8.5605" />
+  <C value="-25.709" />
+  <D value="29.437" />
+  <E value="-11.774" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15357" />
+  <B value="2400" />
+  <C value="-27.232" />
+  <D value="0.044332" />
+  <E value="0.00082624" />
+  <Tmin units="K"  value="7.97" />
+  <Tmax units="K"  value="96.24" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119500" />
+  <B value="-2040" />
+  <C value="-9.5251" />
+  <D value="0.005216" />
+  <E value="-0.000044691" />
+  <Tmin units="K"  value="230.15" />
+  <Tmax units="K"  value="239.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32322" />
+  <B value="-368.1" />
+  <C value="12.478" />
+  <D value="-0.00063326" />
+  <E value="1.9169E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14952" />
+  <B value="-95.249" />
+  <C value="-2.9927" />
+  <D value="87.512" />
+  <E value="-180.54" />
+  <Tmin units="K"  value="286.82" />
+  <Tmax units="K"  value="1593.45" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.959" />
+  <B value="-457.46" />
+  <C value="-4.9486" />
+  <D value="0.0000065105" />
+  <E value="2" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9343E-07" />
+  <B value="0.62415" />
+  <C value="62.573" />
+  <D value="13289" />
+  <Tmin units="K"  value="205.15" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.064331" />
+  <B value="-179.32" />
+  <C value="0.36969" />
+  <D value="-0.0050683" />
+  <E value="-0.0000040693" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0013269" />
+  <B value="0.52727" />
+  <C value="30.264" />
+  <D value="73930" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018755" />
+  <B value="-184.08" />
+  <C value="-0.62328" />
+  <D value="-0.010678" />
+  <E value="0.0000067659" />
+  <Tmin units="K"  value="205" />
+  <Tmax units="K"  value="253.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1143.5" />
+  <B value="420.89" />
+  <C value="-0.39558" />
+  <D value="0.00012305" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.964" />
+  <B value="2204.2" />
+  <C value="6.0906" />
+  <Tmin units="K"  value="225.15" />
+  <Tmax units="K"  value="283.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.6415" />
+  <B value="-0.0085625" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.248529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.971185E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="218.3832" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.282" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.97874" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0259655" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.243" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.208" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.07981" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.085036" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.28" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.8864" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.208" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="7681" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.07981" />
+<Umr name="UMR" >
+  <group id="226"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="2551-62-4" />
+<Smiles name="SMILES"  value="FS(F)(F)(F)(F)F" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1844" />
+<CompoundID name="Name"  value="Dimethyl sulfoxide" />
+<StructureFormula name="Structure"  value="CH3SOCH3" />
+<Family name="Family"  value="70" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="729" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.227" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.212" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="462.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="50.2288" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.1334" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.071277" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.280551" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.84E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26750" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.32E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04288" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.092E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="306300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.393E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.934577" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6054E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.743" />
+  <B value="1.2716E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="287.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1064" />
+  <B value="0.25156" />
+  <C value="729" />
+  <D value="0.33043" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.24911" />
+  <B value="-9095.583" />
+  <C value="-9.246359" />
+  <D value="3.215062E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="729" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.1934E+08" />
+  <B value="12.701" />
+  <C value="-33.974" />
+  <D value="36.922" />
+  <E value="-14.839" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3951.7" />
+  <B value="764.12" />
+  <C value="-1.607" />
+  <D value="-0.0031255" />
+  <E value="0.000017557" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="280" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="148920" />
+  <B value="274.35" />
+  <C value="2.2127" />
+  <D value="0.017296" />
+  <E value="-0.000001184" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="422.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61635" />
+  <B value="-582.63" />
+  <C value="12.205" />
+  <D value="-0.000053872" />
+  <E value="2.2232E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17475" />
+  <B value="-282.77" />
+  <C value="-60.169" />
+  <D value="75677" />
+  <E value="-324810" />
+  <Tmin units="K"  value="363" />
+  <Tmax units="K"  value="1993" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="33.492" />
+  <B value="223.29" />
+  <C value="-7.3227" />
+  <D value="0.000014294" />
+  <E value="2" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6219E-08" />
+  <B value="0.83436" />
+  <C value="168.37" />
+  <D value="-97.445" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.081843" />
+  <B value="-215.42" />
+  <C value="0.15922" />
+  <D value="-0.0051305" />
+  <E value="0.0000011114" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0006441" />
+  <B value="0.77214" />
+  <C value="1010.2" />
+  <D value="82198" />
+  <Tmin units="K"  value="462.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035188" />
+  <B value="-130.57" />
+  <C value="-1.0743" />
+  <D value="-0.0038643" />
+  <E value="0.0000013151" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="22599" />
+  <B value="269.86" />
+  <C value="-0.15903" />
+  <D value="0.000036573" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="6.679602" />
+  <B value="-11091.2" />
+  <C value="-21.74851" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="729" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.505" />
+  <B value="3949.9" />
+  <C value="-67.269" />
+  <Tmin units="K"  value="438.5" />
+  <Tmax units="K"  value="642.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8682" />
+  <B value="-0.011565" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.227469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.322352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="178.8339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.212" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0325977" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.10543" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.280551" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.071277" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8266" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280551" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26750" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.071277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="68"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="68"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="68"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="67"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-68-5" />
+<Smiles name="SMILES"  value="CS(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="69" />
+<CompoundID name="Name"  value="N-heptadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)15CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.103" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="574.56" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="295.127" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="295.134" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0465559" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="240.473" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.31045" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.762" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.355E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1808" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.449E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.939E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.083E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="820230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.0459E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.7889" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.05618E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.0831" />
+  <B value="-0.001532" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="118.05" />
+  <Tmax units="K"  value="295.13" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.1972" />
+  <B value="0.22446" />
+  <C value="736" />
+  <D value="0.27261" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="736" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="230.4768" />
+  <B value="-19512.15" />
+  <C value="-29.73776" />
+  <D value="0.0000119109" />
+  <E value="2" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="736" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1837E+08" />
+  <B value="0.45937" />
+  <C value="1.0501" />
+  <D value="-1.8353" />
+  <E value="0.77357" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="736" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-59944" />
+  <B value="3834.8" />
+  <C value="-16.853" />
+  <D value="0.031845" />
+  <E value="0.0000086344" />
+  <Tmin units="K"  value="30.46" />
+  <Tmax units="K"  value="270.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="341660" />
+  <B value="-48.077" />
+  <C value="11.234" />
+  <D value="0.0041437" />
+  <E value="-0.0000017269" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="575.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="247870" />
+  <B value="-663.74" />
+  <C value="14.166" />
+  <D value="-0.00017722" />
+  <E value="5.7891E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.44015" />
+  <B value="-297.46" />
+  <C value="-550.48" />
+  <D value="-414510" />
+  <E value="499680" />
+  <Tmin units="K"  value="366.69" />
+  <Tmax units="K"  value="1686.69" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-77.193" />
+  <B value="4597" />
+  <C value="9.9892" />
+  <D value="-0.0000084702" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2694E-07" />
+  <B value="0.5961" />
+  <C value="448.22" />
+  <D value="45523" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.015537" />
+  <B value="-239.33" />
+  <C value="0.042685" />
+  <D value="-0.0038367" />
+  <E value="8.6547E-07" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="575.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-115.33" />
+  <B value="1.0524" />
+  <C value="-2.1515E+09" />
+  <D value="-1.3137E+10" />
+  <Tmin units="K"  value="575.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.038127" />
+  <B value="-105.48" />
+  <C value="-1.5195" />
+  <D value="-0.0033062" />
+  <E value="0.000001514" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="736" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="197990" />
+  <B value="-76.576" />
+  <C value="3.7692" />
+  <D value="-0.0050387" />
+  <E value="0.0000020333" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.204" />
+  <B value="4403.1" />
+  <C value="-120.35" />
+  <Tmin units="K"  value="448.16" />
+  <Tmax units="K"  value="650" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0515" />
+  <B value="-0.0099131" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.149922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.058091E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.7544" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="353.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.9601" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.122765" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.779388" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.762" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.31045" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="11.9182" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="9.796" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.6926" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.762" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.31045" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-78-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="70" />
+<CompoundID name="Name"  value="N-octadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)16CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="747" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.189" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="588.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="301.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="301.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0339091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="254.5" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.32666" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.808" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.655E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.191" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.584E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.1457E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.921E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="859450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.1986E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.6378" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.11726E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.0277" />
+  <B value="-0.0050559" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="301.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.21099" />
+  <B value="0.23901" />
+  <C value="748.16" />
+  <D value="0.28153" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="748.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.4726" />
+  <B value="-16120.27" />
+  <C value="-18.72498" />
+  <D value="5.38655E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="301.31" />
+  <Tmax units="K"  value="750.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.214E+08" />
+  <B value="0.36333" />
+  <C value="1.283" />
+  <D value="-2.0514" />
+  <E value="0.85175" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="723.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-62135" />
+  <B value="4107.1" />
+  <C value="-20.184" />
+  <D value="0.052076" />
+  <E value="-0.000032879" />
+  <Tmin units="K"  value="20.8" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="332820" />
+  <B value="-15.176" />
+  <C value="11.369" />
+  <D value="0.0039066" />
+  <E value="-0.0000015738" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="589.86" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="258960" />
+  <B value="-641.43" />
+  <C value="14.136" />
+  <D value="-0.000068602" />
+  <E value="1.814E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37194" />
+  <B value="-125.23" />
+  <C value="-684.43" />
+  <D value="-279030" />
+  <E value="-217610" />
+  <Tmin units="K"  value="372.63" />
+  <Tmax units="K"  value="1712.63" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.956" />
+  <B value="4978.7" />
+  <C value="10.99" />
+  <D value="-0.0000089834" />
+  <E value="2" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2955E-07" />
+  <B value="0.58255" />
+  <C value="343.75" />
+  <D value="67974" />
+  <Tmin units="K"  value="301.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046627" />
+  <B value="-130.56" />
+  <C value="-0.64842" />
+  <D value="-0.0017182" />
+  <E value="-4.6995E-07" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="589.86" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-198.99" />
+  <B value="1.1011" />
+  <C value="-5.9685E+09" />
+  <D value="5.2419E+11" />
+  <Tmin units="K"  value="589.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056568" />
+  <B value="50.95" />
+  <C value="-3.3461" />
+  <D value="0.00054721" />
+  <E value="-0.0000042845" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="723.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="208940" />
+  <B value="-79.844" />
+  <C value="3.9922" />
+  <D value="-0.0053425" />
+  <E value="0.0000021569" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.043" />
+  <B value="4346" />
+  <C value="-132.5" />
+  <Tmin units="K"  value="450" />
+  <Tmax units="K"  value="653.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0265" />
+  <B value="-0.0096674" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.234017" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.058609E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.6455" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="373.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.127864" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.78311" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.808" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.32666" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="12.5926" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="10.336" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.808" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.32666" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="593-45-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="71" />
+<CompoundID name="Name"  value="N-nonadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)17CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="760" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.1" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.215" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="603.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="305.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="305.04" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0159089" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="268.521" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.343701" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.8271" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.983E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2012" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.719E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.3514E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.075E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="898930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.02E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.68901" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.17812E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="3.6651" />
+  <B value="-0.0013337" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="122.02" />
+  <Tmax units="K"  value="305.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.20149" />
+  <B value="0.23831" />
+  <C value="760" />
+  <D value="0.29903" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="734.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="182.4003" />
+  <B value="-17843.62" />
+  <C value="-22.48728" />
+  <D value="7.349606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="760.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5404E+08" />
+  <B value="1.2215" />
+  <C value="-0.32899" />
+  <D value="-1.0541" />
+  <E value="0.6821" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="758" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="171240" />
+  <B value="-1715.3" />
+  <C value="33.643" />
+  <D value="-0.15717" />
+  <E value="0.00026291" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="300" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="244790" />
+  <B value="42.54" />
+  <C value="11.446" />
+  <D value="0.0046334" />
+  <E value="-0.0000026668" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="603.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="274480" />
+  <B value="-648.39" />
+  <C value="14.221" />
+  <D value="-0.00011095" />
+  <E value="3.3607E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32673" />
+  <B value="14.285" />
+  <C value="-813.39" />
+  <D value="-219560" />
+  <E value="-742530" />
+  <Tmin units="K"  value="377.97" />
+  <Tmax units="K"  value="1737.97" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.761" />
+  <B value="5101" />
+  <C value="11.082" />
+  <D value="-0.0000087239" />
+  <E value="2" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0651E-07" />
+  <B value="0.58942" />
+  <C value="341.93" />
+  <D value="67425" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057019" />
+  <B value="73.111" />
+  <C value="-2.1518" />
+  <D value="0.0021618" />
+  <E value="-0.0000035171" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="603.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000043333" />
+  <B value="1.271" />
+  <C value="2799.6" />
+  <D value="138170" />
+  <Tmin units="K"  value="603.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0038905" />
+  <B value="102.44" />
+  <C value="-3.8793" />
+  <D value="0.0021193" />
+  <E value="-0.0000060226" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="758" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6522.3" />
+  <B value="1719.5" />
+  <C value="-0.89542" />
+  <D value="0.00017419" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.282" />
+  <B value="4624.1" />
+  <C value="-129.45" />
+  <Tmin units="K"  value="456.75" />
+  <Tmax units="K"  value="662.64" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0344" />
+  <B value="-0.0094781" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.318669" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.21838E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="196.1125" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.215" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="394.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.135494" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.787872" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.8271" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.343701" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="13.267" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="10.876" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.8271" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16200" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.343701" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-92-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="74" />
+<CompoundID name="Name"  value="N-heneicosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)19CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="798.64" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1391000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.197" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.211" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="629.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="313.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="313.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00621532" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="296.574" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.376581" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.942004" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.535E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.989E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.778E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.229E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="985000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.7698E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.678346" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.296E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.3536" />
+  <B value="-0.0013378" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="125.34" />
+  <Tmax units="K"  value="313.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0010945" />
+  <B value="0.018629" />
+  <C value="798.64" />
+  <D value="0.095543" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="778" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.2451" />
+  <B value="-14833.82" />
+  <C value="-11.21418" />
+  <D value="3.606473E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0592E+08" />
+  <B value="3.1557" />
+  <C value="-6.6833" />
+  <D value="7.1267" />
+  <E value="-3.099" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5.0726" />
+  <B value="-375.05" />
+  <C value="13.437" />
+  <D value="-0.02297" />
+  <E value="0.000013281" />
+  <Tmin units="K"  value="291.15" />
+  <Tmax units="K"  value="300.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="268470" />
+  <B value="50.971" />
+  <C value="11.858" />
+  <D value="0.0031331" />
+  <E value="-0.0000010628" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="740" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="253120" />
+  <B value="-507.31" />
+  <C value="13.984" />
+  <D value="0.00027572" />
+  <E value="-9.6316E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.73028" />
+  <B value="-515.12" />
+  <C value="-797.83" />
+  <D value="-1492800" />
+  <E value="2875300" />
+  <Tmin units="K"  value="389" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-25.108" />
+  <B value="2540.9" />
+  <C value="2.0324" />
+  <D value="-0.0000013549" />
+  <E value="2" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="630.79" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9575E-07" />
+  <B value="0.62136" />
+  <C value="718.74" />
+  <D value="3255.3" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22263" />
+  <B value="31.196" />
+  <C value="-1.0701" />
+  <D value="0.0001617" />
+  <E value="-7.0064E-07" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="629.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-237.86" />
+  <B value="1.0527" />
+  <C value="-4.9708E+09" />
+  <D value="-8.9521E+10" />
+  <Tmin units="K"  value="629.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035118" />
+  <B value="-77.945" />
+  <C value="-1.8055" />
+  <D value="-0.0025383" />
+  <E value="0.0000008909" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8894.6" />
+  <B value="1961.7" />
+  <C value="-1.0696" />
+  <D value="0.00022407" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.466" />
+  <B value="4900.1" />
+  <C value="-136.52" />
+  <Tmin units="K"  value="484.54" />
+  <Tmax units="K"  value="704.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9063" />
+  <B value="-0.0093353" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="630.79" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.486861" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.281752E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="192.611" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.211" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="435.54" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.158831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.792195" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.942004" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.376581" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="14.6158" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="11.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.942004" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15900" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.376581" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-94-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="75" />
+<CompoundID name="Name"  value="N-docosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)20CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="808.83" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1339000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.209" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="641.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="318.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="317.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00359575" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="310.601" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.393226" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.973" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.799E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2319" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.985E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.307E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1019000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.8953E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.744627" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.357E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.2062" />
+  <B value="-0.0012637" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="126.86" />
+  <Tmax units="K"  value="317.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.00088994" />
+  <B value="0.017172" />
+  <C value="808.83" />
+  <D value="0.094179" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="787" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="270.663" />
+  <B value="-22731.61" />
+  <C value="-35.81794" />
+  <D value="0.0000193308" />
+  <E value="2" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5383E+08" />
+  <B value="1.0955" />
+  <C value="-1.2067" />
+  <D value="1.3977" />
+  <E value="-0.85529" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="22469" />
+  <B value="2585.1" />
+  <C value="-4.4911" />
+  <D value="0.010078" />
+  <E value="-0.000009896" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="317.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94846" />
+  <B value="-114.81" />
+  <C value="13.466" />
+  <D value="0.000531" />
+  <E value="3.3532E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="740" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="291820" />
+  <B value="-567.43" />
+  <C value="14.157" />
+  <D value="0.00012912" />
+  <E value="-4.9166E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.76617" />
+  <B value="-496.25" />
+  <C value="-894.79" />
+  <D value="-1799300" />
+  <E value="3495100" />
+  <Tmin units="K"  value="393.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-27.314" />
+  <B value="2728.1" />
+  <C value="2.3358" />
+  <D value="-0.0000013135" />
+  <E value="2" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="643.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8858E-07" />
+  <B value="0.62154" />
+  <C value="714.54" />
+  <D value="4582.3" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.148" />
+  <B value="-22.716" />
+  <C value="-0.91136" />
+  <D value="-0.00059496" />
+  <E value="-3.4759E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="641.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-270.77" />
+  <B value="1.0546" />
+  <C value="-5.8977E+09" />
+  <D value="-1.0935E+11" />
+  <Tmin units="K"  value="641.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03075" />
+  <B value="-73.068" />
+  <C value="-1.9074" />
+  <D value="-0.002422" />
+  <E value="7.0531E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16805" />
+  <B value="2089.4" />
+  <C value="-1.1669" />
+  <D value="0.00025179" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.153082" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="304.15" />
+  <Tmax units="K"  value="474.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.952" />
+  <B value="5415.6" />
+  <C value="-122.39" />
+  <Tmin units="K"  value="490.15" />
+  <Tmax units="K"  value="712.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7996" />
+  <B value="-0.0093671" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="643.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.567299" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.316045E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="188.4938" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.209" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="456.06" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.167898" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.795185" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.973" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.393226" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="15.2902" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="12.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.973" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.393226" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-97-0" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="76" />
+<CompoundID name="Name"  value="N-tricosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)21CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="818.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.208" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="653.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="320.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="320.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00186855" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="324.627" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.4074" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.02617" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.065E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2422" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.259E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.192E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.39E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1064000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.3974E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.417E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.0671" />
+  <B value="-0.0011957" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="128.26" />
+  <Tmax units="K"  value="320.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.048866" />
+  <B value="0.12922" />
+  <C value="818.25" />
+  <D value="0.20531" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="770.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-22.08031" />
+  <B value="-9534.111" />
+  <C value="8.274049" />
+  <D value="-0.0000125255" />
+  <E value="2" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.6434E+08" />
+  <B value="1.0068" />
+  <C value="-0.55169" />
+  <D value="0.31454" />
+  <E value="-0.3244" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="6630" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="320.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-58655" />
+  <B value="-99.845" />
+  <C value="13.754" />
+  <D value="0.00030768" />
+  <E value="3.7705E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="304710" />
+  <B value="-567.01" />
+  <C value="14.201" />
+  <D value="0.00012862" />
+  <E value="-4.8999E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.80211" />
+  <B value="-472.21" />
+  <C value="-1000" />
+  <D value="-2157000" />
+  <E value="4225100" />
+  <Tmin units="K"  value="398" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.8394" />
+  <B value="1949.8" />
+  <C value="-0.47088" />
+  <D value="0.0000010446" />
+  <E value="2" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="654.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8518E-07" />
+  <B value="0.61933" />
+  <C value="704.01" />
+  <D value="6598.3" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.18218" />
+  <B value="0.19147" />
+  <C value="-0.94906" />
+  <D value="-0.00035642" />
+  <E value="-3.5025E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="653.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-232.83" />
+  <B value="1.0566" />
+  <C value="-5.2747E+09" />
+  <D value="-9.8604E+10" />
+  <Tmin units="K"  value="653.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03252" />
+  <B value="-86.948" />
+  <C value="-1.7797" />
+  <D value="-0.0026525" />
+  <E value="9.2007E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-17575" />
+  <B value="2183.7" />
+  <C value="-1.2207" />
+  <D value="0.00026363" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.773" />
+  <B value="5247.8" />
+  <C value="-140.8" />
+  <Tmin units="K"  value="493.15" />
+  <Tmax units="K"  value="720.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8318" />
+  <B value="-0.0091216" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="654.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.644437" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.342746E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.4249" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.208" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="476.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.17165" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.798403" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.02617" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.4074" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="15.9646" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="13.036" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.02617" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.4074" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="638-67-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="77" />
+<CompoundID name="Name"  value="N-tetracosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)22CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="810" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.207" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="664.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="324.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="323.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00138507" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="338.654" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.426088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.07102" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.321E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2524" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.394E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.4E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.472E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1097000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.4894E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.912905" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.479E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="2.705" />
+  <B value="-0.000046396" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="323.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.013821" />
+  <B value="0.07087" />
+  <C value="810" />
+  <D value="0.13885" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="804" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.4643" />
+  <B value="-17014.83" />
+  <C value="-12.51446" />
+  <D value="1.109888E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5462E+08" />
+  <B value="0.24892" />
+  <C value="1.8808" />
+  <D value="-2.829" />
+  <E value="1.1319" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-127900" />
+  <B value="6840.6" />
+  <C value="-42.334" />
+  <D value="0.13573" />
+  <E value="-0.00013432" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="290" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="397960" />
+  <B value="-97.814" />
+  <C value="12.108" />
+  <D value="0.0038156" />
+  <E value="-0.0000022229" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="664.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="318880" />
+  <B value="-569.39" />
+  <C value="14.249" />
+  <D value="0.00012213" />
+  <E value="-4.6983E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.66108" />
+  <B value="-157.86" />
+  <C value="-1201.7" />
+  <D value="-2514500" />
+  <E value="5035800" />
+  <Tmin units="K"  value="402" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-64.748" />
+  <B value="4433" />
+  <C value="8.0272" />
+  <D value="-0.0000059771" />
+  <E value="2" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="793.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9788E-07" />
+  <B value="0.59708" />
+  <C value="514.64" />
+  <D value="49388" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.046069" />
+  <B value="-245.01" />
+  <C value="-0.62562" />
+  <D value="-0.0019192" />
+  <E value="-0.0000023135" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="683.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-232.02" />
+  <B value="1.063" />
+  <C value="-5.6529E+09" />
+  <D value="-8.4042E+10" />
+  <Tmin units="K"  value="664.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.087025" />
+  <B value="-29.702" />
+  <C value="-1.7009" />
+  <D value="-0.0013432" />
+  <E value="5.7868E-07" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18646" />
+  <B value="2279.4" />
+  <C value="-1.2759" />
+  <D value="0.0002759" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.919" />
+  <B value="5413.7" />
+  <C value="-142.61" />
+  <Tmin units="K"  value="487.25" />
+  <Tmax units="K"  value="728.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2184" />
+  <B value="-0.0080348" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="793.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.715072" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.368548E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="182.344" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.207" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="497.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.173787" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.797216" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.07102" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.426088" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="16.639" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="13.576" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.07102" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.426088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="646-31-1" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="78" />
+<CompoundID name="Name"  value="N-pentacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)23CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="836.31" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1202000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.418" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.205" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="675.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="327.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="326.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00079876" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="352.68" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.442767" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.10526" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.58E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2626" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.529E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.607E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.553E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1143000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.7739E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.856007" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.539E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.8278" />
+  <B value="-0.0010821" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="130.66" />
+  <Tmax units="K"  value="326.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.00063401" />
+  <B value="0.015388" />
+  <C value="836.31" />
+  <D value="0.093752" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="812" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-203.2504" />
+  <B value="-1095.063" />
+  <C value="35.1974" />
+  <D value="-0.0000282197" />
+  <E value="2" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9288E+08" />
+  <B value="1.8937" />
+  <C value="-3.4712" />
+  <D value="3.9636" />
+  <E value="-1.9344" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="162660" />
+  <B value="-988.28" />
+  <C value="34.605" />
+  <D value="-0.17879" />
+  <E value="0.00032498" />
+  <Tmin units="K"  value="91.3" />
+  <Tmax units="K"  value="294.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="528340" />
+  <B value="-126.87" />
+  <C value="12.075" />
+  <D value="0.002955" />
+  <E value="-9.8642E-07" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="330530" />
+  <B value="-566.25" />
+  <C value="14.283" />
+  <D value="0.00012874" />
+  <E value="-4.9096E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.87493" />
+  <B value="-408.43" />
+  <C value="-1227.2" />
+  <D value="-3003700" />
+  <E value="5985700" />
+  <Tmin units="K"  value="406" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.804" />
+  <B value="1971.8" />
+  <C value="-0.26998" />
+  <D value="3.9914E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="677.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8769E-07" />
+  <B value="0.61575" />
+  <C value="746.72" />
+  <D value="4040.4" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0058343" />
+  <B value="-203.86" />
+  <C value="-0.37432" />
+  <D value="-0.0029792" />
+  <E value="2.4773E-07" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="675.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-266.99" />
+  <B value="1.0606" />
+  <C value="-6.4961E+09" />
+  <D value="-1.2167E+11" />
+  <Tmin units="K"  value="675.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028179" />
+  <B value="-85.291" />
+  <C value="-1.8555" />
+  <D value="-0.0026056" />
+  <E value="7.8884E-07" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-19038" />
+  <B value="2371.9" />
+  <C value="-1.3272" />
+  <D value="0.00028688" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.542" />
+  <B value="5136.2" />
+  <C value="-161.6" />
+  <Tmin units="K"  value="503.15" />
+  <Tmax units="K"  value="735.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8494" />
+  <B value="-0.0087525" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="677.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.778027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.403995E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="181.8002" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.205" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="517.62" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.189742" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.803521" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.442767" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="17.3134" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="14.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.10526" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.442767" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-99-2" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="79" />
+<CompoundID name="Name"  value="N-hexacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)24CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="844.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1162000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.473" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.203" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="685.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="329.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="329.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000515816" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="366.707" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.4561" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.15444" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.83E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2729" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.664E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.814E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.636E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1176000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.9496E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.875734" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="3.1664" />
+  <B value="-0.0021136" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="292.25" />
+  <Tmax units="K"  value="329.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0012458" />
+  <B value="0.021983" />
+  <C value="844.7" />
+  <D value="0.10464" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="819" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-181.3952" />
+  <B value="-2296.288" />
+  <C value="31.90668" />
+  <D value="-0.0000256231" />
+  <E value="2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0502E+08" />
+  <B value="2.0708" />
+  <C value="-3.8957" />
+  <D value="4.3419" />
+  <E value="-2.0579" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-38418" />
+  <B value="3706.2" />
+  <C value="-2.4141" />
+  <D value="-0.050428" />
+  <E value="0.00014632" />
+  <Tmin units="K"  value="13.83" />
+  <Tmax units="K"  value="320.36" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="657670" />
+  <B value="-651.68" />
+  <C value="14.164" />
+  <D value="-0.00036454" />
+  <E value="7.7672E-07" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="342560" />
+  <B value="-564.25" />
+  <C value="14.318" />
+  <D value="0.00013185" />
+  <E value="-5.001E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.91137" />
+  <B value="-367.77" />
+  <C value="-1348.9" />
+  <D value="-3484600" />
+  <E value="6989300" />
+  <Tmin units="K"  value="409.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-92.13292" />
+  <B value="5845.982" />
+  <C value="12.08985" />
+  <D value="-8.198834E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="813.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7977E-07" />
+  <B value="0.616" />
+  <C value="732.48" />
+  <D value="6359.2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020148" />
+  <B value="-211.96" />
+  <C value="-0.39294" />
+  <D value="-0.0031327" />
+  <E value="1.9698E-07" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="685.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-164.53" />
+  <B value="1.0626" />
+  <C value="-4.163E+09" />
+  <D value="-7.6944E+10" />
+  <Tmin units="K"  value="685.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.066949" />
+  <B value="-1.3964" />
+  <C value="-2.0199" />
+  <D value="-0.0011254" />
+  <E value="0.0000003598" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-19227" />
+  <B value="2464" />
+  <C value="-1.3788" />
+  <D value="0.00029808" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.698" />
+  <B value="5292.3" />
+  <C value="-164.22" />
+  <Tmin units="K"  value="509.68" />
+  <Tmax units="K"  value="741.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5609" />
+  <B value="-0.0092454" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="813.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.831535" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.438745E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="177.2562" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.203" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="538.14" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.197603" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.803608" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.03" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.4561" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="17.9878" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="14.656" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.15444" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.4561" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-01-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="80" />
+<CompoundID name="Name"  value="N-heptacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)25CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="826" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="883000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.58" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.203" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="695.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="332.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="332.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000283125" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="380.734" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.48815" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.21357" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.017E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.28309" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.799E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.021E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.716E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1216000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.0417E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.15" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.66E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.6193" />
+  <B value="-0.00098572" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="132.86" />
+  <Tmax units="K"  value="332.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13373" />
+  <B value="0.23061" />
+  <C value="826" />
+  <D value="0.29272" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="800.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="254.28" />
+  <B value="-25266" />
+  <C value="-32.268" />
+  <D value="0.0000098574" />
+  <E value="2" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="826" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.738E+08" />
+  <B value="0.55455" />
+  <C value="0.6619" />
+  <D value="-1.1864" />
+  <E value="0.39235" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="800.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="131.35" />
+  <B value="10430" />
+  <C value="-49.252" />
+  <D value="0.10336" />
+  <E value="-0.000081339" />
+  <Tmin units="K"  value="313" />
+  <Tmax units="K"  value="322.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="287690" />
+  <B value="-499.88" />
+  <C value="15.238" />
+  <D value="-0.0020847" />
+  <E value="0.000001614" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="324210" />
+  <B value="-507.11" />
+  <C value="14.235" />
+  <D value="0.00027032" />
+  <E value="-9.4813E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.94678" />
+  <B value="-319.68" />
+  <C value="-1479.8" />
+  <D value="-4020400" />
+  <E value="8104800" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.337" />
+  <B value="2071.7" />
+  <C value="-0.014083" />
+  <D value="1.056E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7943E-07" />
+  <B value="0.60493" />
+  <C value="599.04" />
+  <D value="42458" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12846" />
+  <B value="8.4662" />
+  <C value="-1.1232" />
+  <D value="-0.00036291" />
+  <E value="-3.8993E-07" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-177.26" />
+  <B value="1.0676" />
+  <C value="-4.7446E+09" />
+  <D value="-7.2852E+10" />
+  <Tmin units="K"  value="695.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.065365" />
+  <B value="-27.602" />
+  <C value="-1.8659" />
+  <D value="-0.0014826" />
+  <E value="5.6633E-07" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="800.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11687" />
+  <B value="2518.7" />
+  <C value="-1.3794" />
+  <D value="0.00029016" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.746" />
+  <B value="5352.8" />
+  <C value="-170.98" />
+  <Tmin units="K"  value="514.09" />
+  <Tmax units="K"  value="727.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.756" />
+  <B value="-0.0086105" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.871975" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.472771E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="173.3321" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.203" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="558.66" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.191283" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805702" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.21357" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.48815" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="18.6622" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="15.196" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.21357" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15810" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.48815" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="593-49-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="81" />
+<CompoundID name="Name"  value="N-octacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)26CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="843" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="888000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.58" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="704.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="334.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="334.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000104457" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="394.76" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.492645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.23752" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.033E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2933" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.934E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.228E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.799E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1255000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.4643E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.06" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.722E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.5213" />
+  <B value="-0.00094263" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="133.74" />
+  <Tmax units="K"  value="334.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0073167" />
+  <B value="0.055448" />
+  <C value="843" />
+  <D value="0.13236" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="832" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="196.5874" />
+  <B value="-22285.21" />
+  <C value="-23.91336" />
+  <D value="7.155924E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0593E+08" />
+  <B value="0.90796" />
+  <C value="0.4061" />
+  <D value="-1.298" />
+  <E value="0.44283" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-84888" />
+  <B value="5947.6" />
+  <C value="-27.952" />
+  <D value="0.062726" />
+  <E value="-0.0000046784" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="250" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="494250" />
+  <B value="-131.76" />
+  <C value="12.406" />
+  <D value="0.0033619" />
+  <E value="-0.0000018387" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="704.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="335140" />
+  <B value="-505.51" />
+  <C value="14.268" />
+  <D value="0.00027376" />
+  <E value="-9.6008E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.7412" />
+  <B value="-1526.5" />
+  <C value="-1143.7" />
+  <D value="-7580800" />
+  <E value="1.9977E+07" />
+  <Tmin units="K"  value="416" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-110.67" />
+  <B value="6750.2" />
+  <C value="14.886" />
+  <D value="-0.000010312" />
+  <E value="2" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000003028" />
+  <B value="0.58316" />
+  <C value="487.28" />
+  <D value="64252" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0095167" />
+  <B value="-82.828" />
+  <C value="-0.8204" />
+  <D value="-0.0023614" />
+  <E value="5.0131E-07" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="704.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-190.77" />
+  <B value="1.0711" />
+  <C value="-5.355E+09" />
+  <D value="-7.036E+10" />
+  <Tmin units="K"  value="704.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.063455" />
+  <B value="-39.315" />
+  <C value="-1.8285" />
+  <D value="-0.0015529" />
+  <E value="5.9113E-07" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11108" />
+  <B value="2607.2" />
+  <C value="-1.4263" />
+  <D value="0.00029964" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.188" />
+  <B value="5872" />
+  <C value="-153.33" />
+  <Tmin units="K"  value="508.11" />
+  <Tmax units="K"  value="753.42" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5887" />
+  <B value="-0.0088828" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.897158" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.499321E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="167.6674" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="579.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.207041" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804469" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.152" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.492645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="19.3366" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="15.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.23752" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15700" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.492645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-02-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="82" />
+<CompoundID name="Name"  value="N-nonacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)27CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="838" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="826000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.69" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="713.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="339.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="336.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000684619" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="408.787" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.523824" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.26531" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.066E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.30355" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.069E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.435E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.879E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1295000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.6107E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.22" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.782E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.4398" />
+  <B value="-0.00090537" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="134.74" />
+  <Tmax units="K"  value="336.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12857" />
+  <B value="0.23366" />
+  <C value="838" />
+  <D value="0.30121" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="811.62" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-4.241455" />
+  <B value="-11668.64" />
+  <C value="5.534214" />
+  <D value="-8.103778E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="838" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9213E+08" />
+  <B value="0.53282" />
+  <C value="0.78359" />
+  <D value="-0.96953" />
+  <E value="0.062608" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="811.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="7750" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="336.85" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-89782" />
+  <B value="-199.31" />
+  <C value="14.448" />
+  <D value="-0.00027681" />
+  <E value="5.1812E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="383900" />
+  <B value="-568.27" />
+  <C value="14.435" />
+  <D value="0.00012081" />
+  <E value="-4.6695E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.0196" />
+  <B value="-209.07" />
+  <C value="-1754" />
+  <D value="-5213400" />
+  <E value="1.0619E+07" />
+  <Tmin units="K"  value="419" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.543" />
+  <B value="2141.6" />
+  <C value="0.0076776" />
+  <D value="-5.4408E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7904E-07" />
+  <B value="0.59854" />
+  <C value="575.23" />
+  <D value="50800" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1272" />
+  <B value="8.851" />
+  <C value="-1.1267" />
+  <D value="-0.00035068" />
+  <E value="-3.6961E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-257.69" />
+  <B value="1.0697" />
+  <C value="-7.2501E+09" />
+  <D value="-1.1593E+11" />
+  <Tmin units="K"  value="713.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067484" />
+  <B value="-24.584" />
+  <C value="-1.877" />
+  <D value="-0.0013532" />
+  <E value="4.7688E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="811.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22489" />
+  <B value="2750.8" />
+  <C value="-1.5436" />
+  <D value="0.00033453" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.591" />
+  <B value="5404.9" />
+  <C value="-176.93" />
+  <Tmin units="K"  value="516.55" />
+  <Tmax units="K"  value="732.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7316" />
+  <B value="-0.0085077" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.69" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.533337E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="166.673" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="599.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.207949" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.809984" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.31" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.523824" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="20.011" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="16.276" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.26531" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.523824" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-03-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="55" />
+<CompoundID name="Name"  value="Squalane" />
+<StructureFormula name="Structure"  value="((CH3)2CH(C3H6CH(CH3))2C2H4)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="863" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="868000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.64" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.198" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="623.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="235.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.70072E-12" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="422.813" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.526135" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.915303" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.147E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.31372" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.198E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.896E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.868E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1272000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.7E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.85E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.5508" />
+  <B value="-0.001356" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.06" />
+  <Tmax units="K"  value="235.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.15996" />
+  <B value="0.26223" />
+  <C value="863" />
+  <D value="0.38604" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="518.45" />
+  <B value="-40342" />
+  <C value="-70.491" />
+  <D value="0.00002486" />
+  <E value="2" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3274E+08" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="21100" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="235.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-38276" />
+  <B value="-113.46" />
+  <C value="13.728" />
+  <D value="0.001186" />
+  <E value="-3.7363E-07" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="720" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="369830" />
+  <B value="-553.39" />
+  <C value="14.489" />
+  <D value="0.00010319" />
+  <E value="-3.8186E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.4043" />
+  <B value="-1190.2" />
+  <C value="-1952.6" />
+  <D value="-3198600" />
+  <E value="3136900" />
+  <Tmin units="K"  value="431.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="118" />
+  <A value="-347.8968" />
+  <B value="71874.9" />
+  <C value="53.72611" />
+  <D value="-0.0000616157" />
+  <E value="1.3" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2128E-07" />
+  <B value="0.5436" />
+  <C value="144.2" />
+  <D value="25.787" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045427" />
+  <B value="7.6198" />
+  <C value="-1.8982" />
+  <D value="-0.00026051" />
+  <E value="-5.9557E-07" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056714" />
+  <B value="1.0625" />
+  <C value="551.79" />
+  <D value="75579" />
+  <Tmin units="K"  value="720" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.068044" />
+  <B value="-20.425" />
+  <C value="-1.8668" />
+  <D value="-0.0015438" />
+  <E value="7.0904E-07" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-51533" />
+  <B value="2946.8" />
+  <C value="-1.7001" />
+  <D value="0.00038015" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.512" />
+  <B value="5091.9" />
+  <C value="-151.93" />
+  <Tmin units="K"  value="532.15" />
+  <Tmax units="K"  value="763.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="15.101" />
+  <B value="-0.059092" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.64" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.536483E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="165.546" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.198" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="620.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.21451" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.810331" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.2" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.526135" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="20.6854" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="16.816" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.915303" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.526135" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-01-3" />
+<Smiles name="SMILES"  value="CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="18" />
+<CompoundID name="Name"  value="2-methylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.18" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00429886" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1486" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.167E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.9472E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3470000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="420410" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9184000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.021" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45935E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.913" />
+  <B value="-0.0071489" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.96" />
+  <Tmax units="K"  value="154.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4821" />
+  <B value="0.23526" />
+  <C value="530.41" />
+  <D value="0.23824" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="530.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.20617" />
+  <B value="-6876.202" />
+  <C value="-10.31895" />
+  <D value="8.219062E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="530.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.861947E+07" />
+  <B value="0.640142" />
+  <C value="-0.832218" />
+  <D value="0.945728" />
+  <E value="-0.370956" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="510.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-93650" />
+  <B value="5393.4" />
+  <C value="-66.789" />
+  <D value="0.4004" />
+  <E value="-0.00085798" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="154.91" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142210" />
+  <B value="82.605" />
+  <C value="8.5784" />
+  <D value="0.010085" />
+  <E value="-0.000006336" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88324" />
+  <B value="-552.27" />
+  <C value="13.044" />
+  <D value="0.00017909" />
+  <E value="-6.2753E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24129" />
+  <B value="-294.06" />
+  <C value="-38.004" />
+  <D value="-4376.2" />
+  <E value="6364" />
+  <Tmin units="K"  value="265" />
+  <Tmax units="K"  value="1931" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.237" />
+  <B value="971.42" />
+  <C value="-0.18335" />
+  <D value="0.0000010057" />
+  <E value="2" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000041509" />
+  <B value="0.28637" />
+  <C value="700.76" />
+  <D value="14523" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060786" />
+  <B value="305.44" />
+  <C value="-6.3461" />
+  <D value="0.018265" />
+  <E value="-0.000033419" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="426.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062491" />
+  <B value="1.0749" />
+  <C value="-62.587" />
+  <D value="153720" />
+  <Tmin units="K"  value="363.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013533" />
+  <B value="18.468" />
+  <C value="-3.0315" />
+  <D value="-0.00031495" />
+  <E value="-0.0000041446" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="510.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28702" />
+  <B value="385.57" />
+  <C value="0.45281" />
+  <D value="-0.00082105" />
+  <E value="3.3998E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.843" />
+  <B value="2915.6" />
+  <C value="-50.214" />
+  <Tmin units="K"  value="318.13" />
+  <Tmax units="K"  value="473.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.256" />
+  <B value="-0.015273" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425893" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.009769E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.9013" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44187" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0548484" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682411" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1486" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002745" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.96509" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1486" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-76-4" />
+<Smiles name="SMILES"  value="CC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="19" />
+<CompoundID name="Name"  value="3-methylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.404" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="153.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="153.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00321303" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14674" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.078E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.9133E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5080000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9460000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0009" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.46177E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.934" />
+  <B value="-0.007197" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.5" />
+  <Tmax units="K"  value="153.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53784" />
+  <B value="0.24926" />
+  <C value="535.2" />
+  <D value="0.22945" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="535.19" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.76736" />
+  <B value="-6773.074" />
+  <C value="-9.77749" />
+  <D value="7.535909E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="535.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.817768E+07" />
+  <B value="1.085699" />
+  <C value="-1.05321" />
+  <D value="0.37877" />
+  <E value="0.0254378" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="515.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-60717" />
+  <B value="5410" />
+  <C value="-46.69" />
+  <D value="0.17474" />
+  <E value="-0.00023062" />
+  <Tmin units="K"  value="89.2" />
+  <Tmax units="K"  value="289.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151720" />
+  <B value="437.07" />
+  <C value="3.0907" />
+  <D value="0.032504" />
+  <E value="-0.000034822" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80171" />
+  <B value="-511.41" />
+  <C value="12.979" />
+  <D value="0.00025345" />
+  <E value="-8.5984E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24147" />
+  <B value="-297.07" />
+  <C value="-38.97" />
+  <D value="-4831.4" />
+  <E value="7213.9" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="1947" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.794" />
+  <B value="999.53" />
+  <C value="0.086997" />
+  <D value="-2.3727E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5226E-07" />
+  <B value="0.55481" />
+  <C value="210.53" />
+  <D value="14.061" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14432" />
+  <B value="11.474" />
+  <C value="-1.2132" />
+  <D value="-0.00022172" />
+  <E value="-0.0000010949" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="425" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000041038" />
+  <B value="1.1288" />
+  <C value="-121.44" />
+  <D value="150080" />
+  <Tmin units="K"  value="365" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014185" />
+  <B value="14.535" />
+  <C value="-2.9491" />
+  <D value="-0.00055881" />
+  <E value="-0.0000037071" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="515.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9515.9" />
+  <B value="684.74" />
+  <C value="-0.35808" />
+  <D value="0.000070956" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.869" />
+  <B value="2945.4" />
+  <C value="-49.691" />
+  <Tmin units="K"  value="325.5" />
+  <Tmax units="K"  value="474.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8534" />
+  <B value="-0.016863" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425893" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.109797E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="255.2548" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.35301" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0540085" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.692371" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.323" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14674" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002806" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.7712" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.323" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14674" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-34-4" />
+<Smiles name="SMILES"  value="CCC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="20" />
+<CompoundID name="Name"  value="3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4158" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="366.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00170947" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1444" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.311" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.943E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0784799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.89661E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.09202E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="411540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9547890" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99001" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.4642E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.258" />
+  <B value="-0.0073712" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.82" />
+  <Tmax units="K"  value="154.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56112" />
+  <B value="0.24813" />
+  <C value="540.61" />
+  <D value="0.27074" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="540.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.99315" />
+  <B value="-6915.896" />
+  <C value="-10.27777" />
+  <D value="8.039283E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="540.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3257E+07" />
+  <B value="1.2647" />
+  <C value="-2.6729" />
+  <D value="3.1124" />
+  <E value="-1.3109" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="520.28" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197190" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="540.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152590" />
+  <B value="204.56" />
+  <C value="5.9318" />
+  <D value="0.021701" />
+  <E value="-0.000022224" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102980" />
+  <B value="-630.04" />
+  <C value="13.15" />
+  <D value="0.000058616" />
+  <E value="-2.6799E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24168" />
+  <B value="-300.63" />
+  <C value="-39.661" />
+  <D value="-8353.5" />
+  <E value="16171" />
+  <Tmin units="K"  value="270.3" />
+  <Tmax units="K"  value="1971.32" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.885" />
+  <B value="1001.1" />
+  <C value="0.10351" />
+  <D value="-0.0000003544" />
+  <E value="2" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.1521E-07" />
+  <B value="0.52741" />
+  <C value="287.77" />
+  <D value="1840.5" />
+  <Tmin units="K"  value="366.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.055574" />
+  <B value="4.7874" />
+  <C value="-1.5746" />
+  <D value="-0.0003945" />
+  <E value="-0.0000016303" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000065519" />
+  <B value="1.0691" />
+  <C value="-74.423" />
+  <D value="161360" />
+  <Tmin units="K"  value="366.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012077" />
+  <B value="20.986" />
+  <C value="-3.0408" />
+  <D value="-0.00022974" />
+  <E value="-0.0000045333" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="520.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="63173" />
+  <B value="162.52" />
+  <C value="0.96789" />
+  <D value="-0.0013392" />
+  <E value="0.0000005303" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.873" />
+  <B value="2975.2" />
+  <C value="-48.333" />
+  <Tmin units="K"  value="326.9" />
+  <Tmax units="K"  value="479.64" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9085" />
+  <B value="-0.016578" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425892" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.792969E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.1931" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.36464" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0540613" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.704619" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.311" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1444" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000168" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.76463" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.311" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1444" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="617-78-7" />
+<Smiles name="SMILES"  value="CCC(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="21" />
+<CompoundID name="Name"  value="2,2-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="520.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2770000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4158" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.32" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="149.34" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="149.34" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00317517" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14967" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.287" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.922E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.118E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.06146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="550000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="392580" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5824000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96525" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45048E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9776" />
+  <B value="-0.0074425" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="59.74" />
+  <Tmax units="K"  value="149.34" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5639" />
+  <B value="0.25328" />
+  <C value="520.51" />
+  <D value="0.25578" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="520.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.15112" />
+  <B value="-6377.959" />
+  <C value="-9.646055" />
+  <D value="8.426861E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="520.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.34663E+07" />
+  <B value="0.794603" />
+  <C value="-0.00994342" />
+  <D value="-0.969824" />
+  <E value="0.623819" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="503" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-151610" />
+  <B value="8029.6" />
+  <C value="-109.32" />
+  <D value="0.68084" />
+  <E value="-0.0014889" />
+  <Tmin units="K"  value="69.95" />
+  <Tmax units="K"  value="149.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129920" />
+  <B value="-35.818" />
+  <C value="9.4637" />
+  <D value="0.0091865" />
+  <E value="-0.0000074351" />
+  <Tmin units="K"  value="149.43" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80553" />
+  <B value="-507.91" />
+  <C value="12.99" />
+  <D value="0.00027095" />
+  <E value="-7.6982E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25329" />
+  <B value="-290.61" />
+  <C value="-31.592" />
+  <D value="-7598.3" />
+  <E value="14076" />
+  <Tmin units="K"  value="260.25" />
+  <Tmax units="K"  value="1898.25" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.348" />
+  <B value="1370.4" />
+  <C value="2.2619" />
+  <D value="-0.0000092505" />
+  <E value="2" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1425E-07" />
+  <B value="0.61072" />
+  <C value="160.83" />
+  <D value="5436.3" />
+  <Tmin units="K"  value="352.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.052706" />
+  <B value="3.783" />
+  <C value="-1.5822" />
+  <D value="-0.00046167" />
+  <E value="-0.0000017248" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000010009" />
+  <B value="1.3247" />
+  <C value="-199.43" />
+  <D value="115550" />
+  <Tmin units="K"  value="352.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010753" />
+  <B value="30.074" />
+  <C value="-3.2695" />
+  <D value="0.00035683" />
+  <E value="-0.0000056635" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="500.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10934" />
+  <B value="502.71" />
+  <C value="0.23389" />
+  <D value="-0.00063356" />
+  <E value="2.8552E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.759" />
+  <B value="2846.1" />
+  <C value="-44.131" />
+  <Tmin units="K"  value="313.48" />
+  <Tmax units="K"  value="463.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8111" />
+  <B value="-0.019605" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.823625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.9511" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.424" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0539877" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682101" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.287" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14967" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1727" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.86847" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.287" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14967" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-35-2" />
+<Smiles name="SMILES"  value="CC(C)(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22" />
+<CompoundID name="Name"  value="2,3-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="537.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2910000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.393" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362.91" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14505" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.917E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.097E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.941E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5610000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414550" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88928" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45567E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.21" />
+  <B value="-5.0318E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60743" />
+  <B value="0.26317" />
+  <C value="537.3" />
+  <D value="0.2444" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.051" />
+  <B value="-6444.3" />
+  <C value="-8.9383" />
+  <D value="0.0000069583" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.686611E+07" />
+  <B value="1.319959" />
+  <C value="-1.914129" />
+  <D value="1.410201" />
+  <E value="-0.377243" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="517.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5151" />
+  <B value="688.15" />
+  <C value="37.701" />
+  <D value="-0.85477" />
+  <E value="0.0056064" />
+  <Tmin units="K"  value="11.98" />
+  <Tmax units="K"  value="81.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="144370" />
+  <B value="-45.964" />
+  <C value="9.0642" />
+  <D value="0.010184" />
+  <E value="-0.0000082901" />
+  <Tmin units="K"  value="83.99" />
+  <Tmax units="K"  value="385.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33579" />
+  <B value="-324.43" />
+  <C value="12.683" />
+  <D value="0.00063287" />
+  <E value="-2.0243E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24143" />
+  <B value="-309.97" />
+  <C value="-36.759" />
+  <D value="-3835.1" />
+  <E value="5611.3" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="1955" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.952" />
+  <B value="1255.2" />
+  <C value="0.89405" />
+  <D value="-0.0000015964" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000005037" />
+  <B value="0.54462" />
+  <C value="227.41" />
+  <D value="8.0354" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054333" />
+  <B value="2.0859" />
+  <C value="-1.4922" />
+  <D value="-0.00079317" />
+  <E value="-0.0000012037" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019733" />
+  <B value="1.2301" />
+  <C value="-158.93" />
+  <D value="129950" />
+  <Tmin units="K"  value="362.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013919" />
+  <B value="16.742" />
+  <C value="-2.9807" />
+  <D value="-0.00044342" />
+  <E value="-0.0000038565" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="517.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-35869" />
+  <B value="804.08" />
+  <C value="-0.53662" />
+  <D value="0.00018516" />
+  <E value="-2.6024E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.174" />
+  <B value="3137.4" />
+  <C value="-38.214" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0645" />
+  <B value="-0.018776" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.011665E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.8926" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18338" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0536701" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.699521" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.297" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14505" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1726" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.388" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001338" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.27172" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.297" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14820" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14505" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="565-59-3" />
+<Smiles name="SMILES"  value="CC(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="23" />
+<CompoundID name="Name"  value="2,4-dimethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="519.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4175" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="153.908" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="153.912" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0066994" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14995" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.931E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.097E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0167E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3310000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="397000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6845000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98683" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.454E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8066" />
+  <B value="-0.0070643" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.56" />
+  <Tmax units="K"  value="153.91" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49944" />
+  <B value="0.24101" />
+  <C value="519.81" />
+  <D value="0.23086" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="519.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.23433" />
+  <B value="-6498.287" />
+  <C value="-9.772628" />
+  <D value="8.133363E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="519.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.636917E+07" />
+  <B value="1.083678" />
+  <C value="-0.919235" />
+  <D value="0.1428" />
+  <E value="0.13605" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="500.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12608" />
+  <B value="1762.6" />
+  <C value="-13.048" />
+  <D value="0.063651" />
+  <E value="-0.00007828" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="153.97" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90283" />
+  <B value="22.117" />
+  <C value="10.293" />
+  <D value="0.0058192" />
+  <E value="-0.0000033296" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66100" />
+  <B value="-427.67" />
+  <C value="12.876" />
+  <D value="0.00036594" />
+  <E value="-1.1245E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24162" />
+  <B value="-300.13" />
+  <C value="-33.208" />
+  <D value="-3009.2" />
+  <E value="4339.2" />
+  <Tmin units="K"  value="259.89" />
+  <Tmax units="K"  value="1898" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.849" />
+  <B value="1204.5" />
+  <C value="0.70216" />
+  <D value="-0.0000021284" />
+  <E value="2" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8633E-07" />
+  <B value="0.67603" />
+  <C value="100.62" />
+  <D value="-68.047" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10048" />
+  <B value="3.798" />
+  <C value="-1.3824" />
+  <D value="-0.00040413" />
+  <E value="-0.0000011783" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0002569" />
+  <B value="0.9033" />
+  <C value="147.33" />
+  <D value="182490" />
+  <Tmin units="K"  value="353.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012625" />
+  <B value="19.642" />
+  <C value="-3.0872" />
+  <D value="-0.00025299" />
+  <E value="-0.0000045089" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="500.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-26049" />
+  <B value="814.18" />
+  <C value="-0.5747" />
+  <D value="0.00020154" />
+  <E value="-2.0786E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.806" />
+  <B value="2858.9" />
+  <C value="-45.57" />
+  <Tmin units="K"  value="314.93" />
+  <Tmax units="K"  value="463.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3132" />
+  <B value="-0.018947" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.863866E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.6761" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47506" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0543304" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.676494" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14995" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1726" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.388" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000811" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0567" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14995" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-08-7" />
+<Smiles name="SMILES"  value="CC(C)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="24" />
+<CompoundID name="Name"  value="3,3-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4141" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="359.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="138.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="138.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000229687" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1454" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.269" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.768E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.118E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2719600" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="398150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7066780" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45458E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.356" />
+  <B value="-0.0082936" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.48" />
+  <Tmax units="K"  value="138.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57981" />
+  <B value="0.25238" />
+  <C value="536.41" />
+  <D value="0.28345" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="536.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.58125" />
+  <B value="-6059.883" />
+  <C value="-7.986446" />
+  <D value="6.250113E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="536.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.254E+07" />
+  <B value="1.1834" />
+  <C value="-1.8011" />
+  <D value="1.5275" />
+  <E value="-0.48856" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="515.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10707" />
+  <B value="1309.2" />
+  <C value="-1.4394" />
+  <D value="-0.047767" />
+  <E value="0.00027764" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="138.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122500" />
+  <B value="86.779" />
+  <C value="8.7861" />
+  <D value="0.0099608" />
+  <E value="-0.0000069264" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67595" />
+  <B value="-428.94" />
+  <C value="12.79" />
+  <D value="0.00052141" />
+  <E value="-1.6453E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23671" />
+  <B value="-275.05" />
+  <C value="-39.954" />
+  <D value="-5103.8" />
+  <E value="7728.1" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.1051" />
+  <B value="998.94" />
+  <C value="-0.73694" />
+  <D value="0.0000026961" />
+  <E value="2" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.3561E-07" />
+  <B value="0.48169" />
+  <C value="385.32" />
+  <D value="9.0702" />
+  <Tmin units="K"  value="359.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050708" />
+  <B value="3.465" />
+  <C value="-1.5874" />
+  <D value="-0.00046821" />
+  <E value="-0.000001622" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000069501" />
+  <B value="1.0643" />
+  <C value="-68.32" />
+  <D value="160740" />
+  <Tmin units="K"  value="359.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012361" />
+  <B value="17.687" />
+  <C value="-3.0268" />
+  <D value="-0.00037187" />
+  <E value="-0.0000042897" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="515.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3990.9" />
+  <B value="610.41" />
+  <C value="-0.061527" />
+  <D value="-0.00029616" />
+  <E value="1.5149E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.798" />
+  <B value="2942.1" />
+  <C value="-41.889" />
+  <Tmin units="K"  value="325.25" />
+  <Tmax units="K"  value="477.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.473" />
+  <B value="-0.020618" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.576266E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.3011" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.41501" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0543081" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.696441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.269" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1454" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1727" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004779" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.77243" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.269" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1454" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="562-49-2" />
+<Smiles name="SMILES"  value="CCC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="25" />
+<CompoundID name="Name"  value="2,2,3-trimethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)3CCH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="531.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3976" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.01" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="248.253" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="248.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="914.054" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.96E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07846" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.117E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.04765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4600000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="383340" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2261030" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90201" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45223E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.2018" />
+  <B value="-0.0041183" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.43" />
+  <Tmax units="K"  value="248.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36152" />
+  <B value="0.20413" />
+  <C value="531.16" />
+  <D value="0.1958" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.92285" />
+  <B value="-5729.492" />
+  <C value="-7.139255" />
+  <D value="5.482993E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="532.22" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4282E+07" />
+  <B value="0.37696" />
+  <C value="0.13995" />
+  <D value="-0.28638" />
+  <E value="0.1473" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-88737" />
+  <B value="3960" />
+  <C value="-26.907" />
+  <D value="0.088352" />
+  <E value="-0.00010431" />
+  <Tmin units="K"  value="109.37" />
+  <Tmax units="K"  value="248.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95157" />
+  <B value="-51.889" />
+  <C value="10.538" />
+  <D value="0.0057229" />
+  <E value="-0.0000043706" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64561" />
+  <B value="-425.21" />
+  <C value="12.779" />
+  <D value="0.00055174" />
+  <E value="-1.7221E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14216" />
+  <B value="-209.59" />
+  <C value="-43.536" />
+  <D value="-1884.6" />
+  <E value="974.47" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.143" />
+  <B value="240.01" />
+  <C value="-4.2433" />
+  <D value="0.0000080652" />
+  <E value="2" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5825E-08" />
+  <B value="0.78963" />
+  <C value="152.98" />
+  <D value="-29510" />
+  <Tmin units="K"  value="343.45" />
+  <Tmax units="K"  value="535.25" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.044619" />
+  <B value="-214.12" />
+  <C value="0.30167" />
+  <D value="-0.0096656" />
+  <E value="0.0000053979" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030164" />
+  <B value="1.1874" />
+  <C value="-102.65" />
+  <D value="141040" />
+  <Tmin units="K"  value="354.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.029346" />
+  <B value="-148.89" />
+  <C value="-1.2217" />
+  <D value="-0.0050964" />
+  <E value="0.0000023937" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5911.6" />
+  <B value="611.63" />
+  <C value="-0.083727" />
+  <D value="-0.00025093" />
+  <E value="1.3162E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.742" />
+  <B value="2891.8" />
+  <C value="-40.291" />
+  <Tmin units="K"  value="320.3" />
+  <Tmax units="K"  value="472.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9222" />
+  <B value="-0.01192" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425775" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.722577E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.8922" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.33657" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0538741" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.694069" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14615" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1719" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.468" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.64331" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14615" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="464-06-2" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="28" />
+<CompoundID name="Name"  value="2-methylheptane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="559.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4882" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0010587" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16463" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.378" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.57E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.154E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.18E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459570" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.1878E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0962" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06933E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7811" />
+  <B value="-0.005901" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="65.66" />
+  <Tmax units="K"  value="164.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40246" />
+  <B value="0.22797" />
+  <C value="559.66" />
+  <D value="0.23428" />
+  <Tmin units="K"  value="164.15" />
+  <Tmax units="K"  value="559.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.9971" />
+  <B value="-7746.664" />
+  <C value="-11.37588" />
+  <D value="8.143433E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="559.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.657838E+07" />
+  <B value="1.352117" />
+  <C value="-1.871983" />
+  <D value="1.354613" />
+  <E value="-0.391149" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="544" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18952" />
+  <B value="1822.8" />
+  <C value="-7.7108" />
+  <D value="0.011722" />
+  <E value="0.000030044" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="164.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66821" />
+  <B value="33.207" />
+  <C value="11.285" />
+  <D value="0.0021902" />
+  <E value="8.6142E-07" />
+  <Tmin units="K"  value="164" />
+  <Tmax units="K"  value="530" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108850" />
+  <B value="-612.4" />
+  <C value="13.327" />
+  <D value="-0.0000091854" />
+  <E value="-2.9587E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27395" />
+  <B value="-342.75" />
+  <C value="-53.371" />
+  <D value="-19390" />
+  <E value="42045" />
+  <Tmin units="K"  value="279.82" />
+  <Tmax units="K"  value="1785.82" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.3762" />
+  <B value="968.16" />
+  <C value="-0.65227" />
+  <D value="0.0000018143" />
+  <E value="2" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5347E-07" />
+  <B value="0.55194" />
+  <C value="231.19" />
+  <D value="-1256.6" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.00038221" />
+  <B value="38.981" />
+  <C value="-2.075" />
+  <D value="0.00062625" />
+  <E value="-0.0000038423" />
+  <Tmin units="K"  value="164.15" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000048089" />
+  <B value="1.0964" />
+  <C value="-142.76" />
+  <D value="170130" />
+  <Tmin units="K"  value="390.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014212" />
+  <B value="12.912" />
+  <C value="-2.9385" />
+  <D value="-0.00062163" />
+  <E value="-0.0000032482" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="538.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="43709" />
+  <B value="342.46" />
+  <C value="0.80975" />
+  <D value="-0.0013047" />
+  <E value="5.4626E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.942" />
+  <B value="3153.9" />
+  <C value="-55.828" />
+  <Tmin units="K"  value="336.84" />
+  <Tmax units="K"  value="503.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8962" />
+  <B value="-0.015367" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.398487E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.2166" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.42249" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.702794" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.378" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16463" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002094" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.83669" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.378" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16463" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-27-8" />
+<Smiles name="SMILES"  value="CC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="29" />
+<CompoundID name="Name"  value="3-methylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4711" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.08" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000523002" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16278" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.49E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1251E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.275E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="465510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.163E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0872" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0721E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8888" />
+  <B value="-0.0064444" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.04" />
+  <Tmax units="K"  value="152.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48768" />
+  <B value="0.25064" />
+  <C value="563.66" />
+  <D value="0.24544" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="563.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.76732" />
+  <B value="-7652.539" />
+  <C value="-10.86325" />
+  <D value="7.450521E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="563.67" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.899021E+07" />
+  <B value="1.39863" />
+  <C value="-1.771662" />
+  <D value="1.093723" />
+  <E value="-0.270846" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="548" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22283" />
+  <B value="1860.6" />
+  <C value="-6.4838" />
+  <D value="-0.0071294" />
+  <E value="0.00010229" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="152.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137930" />
+  <B value="50.329" />
+  <C value="9.9028" />
+  <D value="0.0059467" />
+  <E value="-0.0000024618" />
+  <Tmin units="K"  value="107.25" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="103080" />
+  <B value="-583.42" />
+  <C value="13.271" />
+  <D value="0.000052348" />
+  <E value="-2.126E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32697" />
+  <B value="-423.7" />
+  <C value="-35.42" />
+  <D value="-43617" />
+  <E value="102800" />
+  <Tmin units="K"  value="281.8" />
+  <Tmax units="K"  value="1799.84" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.3817" />
+  <B value="976.23" />
+  <C value="-0.66335" />
+  <D value="0.0000021183" />
+  <E value="2" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="392.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000069865" />
+  <B value="0.21161" />
+  <C value="854.03" />
+  <D value="-2592.5" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043161" />
+  <B value="22.706" />
+  <C value="-1.6829" />
+  <D value="-0.000063735" />
+  <E value="-0.0000020484" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042535" />
+  <B value="1.1138" />
+  <C value="-151.71" />
+  <D value="168420" />
+  <Tmin units="K"  value="392.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010132" />
+  <B value="18.511" />
+  <C value="-3.0971" />
+  <D value="-0.000087581" />
+  <E value="-0.0000046928" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="541.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="950.75" />
+  <B value="729.2" />
+  <C value="-0.35201" />
+  <D value="0.000060241" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.965" />
+  <B value="3188.8" />
+  <C value="-54.285" />
+  <Tmin units="K"  value="342.54" />
+  <Tmax units="K"  value="506" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4083" />
+  <B value="-0.017071" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="392.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.554483E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.2871" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46447" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06101" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.709859" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16278" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004039" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98948" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.371" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16278" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-81-1" />
+<Smiles name="SMILES"  value="CCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="30" />
+<CompoundID name="Name"  value="4-methylheptane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(CH3)(CH2)2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2540000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.476" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.86" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000457034" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16306" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.52E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0887" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1196E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.571E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0902" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8808" />
+  <B value="-0.0059952" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.88" />
+  <Tmax units="K"  value="152.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41247" />
+  <B value="0.23007" />
+  <C value="561.76" />
+  <D value="0.23229" />
+  <Tmin units="K"  value="152.15" />
+  <Tmax units="K"  value="561.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.33843" />
+  <B value="-7742.706" />
+  <C value="-11.25952" />
+  <D value="7.843366E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="561.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.797167E+07" />
+  <B value="1.151616" />
+  <C value="-0.835173" />
+  <D value="-0.171743" />
+  <E value="0.314726" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="540.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="561.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123600" />
+  <B value="-18.717" />
+  <C value="11.067" />
+  <D value="0.0020327" />
+  <E value="0.0000016218" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="530" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100250" />
+  <B value="-569.74" />
+  <C value="13.266" />
+  <D value="0.000060406" />
+  <E value="-2.5661E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26872" />
+  <B value="-336.78" />
+  <C value="-55.297" />
+  <D value="-13650" />
+  <E value="26132" />
+  <Tmin units="K"  value="280.85" />
+  <Tmax units="K"  value="1792.87" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.11" />
+  <B value="1066.3" />
+  <C value="-0.039384" />
+  <D value="1.7455E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="390.86" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000043616" />
+  <B value="0.27023" />
+  <C value="695.06" />
+  <D value="-2959.1" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096483" />
+  <B value="12.321" />
+  <C value="-1.3603" />
+  <D value="-0.00031289" />
+  <E value="-0.0000012186" />
+  <Tmin units="K"  value="152.15" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000040274" />
+  <B value="1.1204" />
+  <C value="-164.18" />
+  <D value="166050" />
+  <Tmin units="K"  value="390.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015124" />
+  <B value="11.813" />
+  <C value="-2.8959" />
+  <D value="-0.000703" />
+  <E value="-0.0000030068" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="540.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="18142" />
+  <B value="522.38" />
+  <C value="0.36742" />
+  <D value="-0.00083319" />
+  <E value="3.6234E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.935" />
+  <B value="3153.8" />
+  <C value="-55.685" />
+  <Tmin units="K"  value="341.5" />
+  <Tmax units="K"  value="503.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4371" />
+  <B value="-0.017141" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="390.86" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486849" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.370341E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.3328" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46166" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0611736" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.710283" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16306" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00287" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95432" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.371" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16306" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-53-7" />
+<Smiles name="SMILES"  value="CCCC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="31" />
+<CompoundID name="Name"  value="3-ethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(C2H5)CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4605" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.69" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16101" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.362" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.571E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.10874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.68615E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457860" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.02158" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07398E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.46" />
+  <B value="-2.5002E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46206" />
+  <B value="0.24436" />
+  <C value="565.51" />
+  <D value="0.22747" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.09596" />
+  <B value="-7733.566" />
+  <C value="-11.22583" />
+  <D value="7.810756E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4799E+07" />
+  <B value="0.26737" />
+  <C value="0.81877" />
+  <D value="-1.2904" />
+  <E value="0.59915" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="550.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="565.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80628" />
+  <B value="-64.909" />
+  <C value="11.186" />
+  <D value="0.0048319" />
+  <E value="-0.0000040172" />
+  <Tmin units="K"  value="166.11" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115160" />
+  <B value="-618.28" />
+  <C value="13.279" />
+  <D value="0.0000464" />
+  <E value="-2.6202E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27373" />
+  <B value="-345.24" />
+  <C value="-56.178" />
+  <D value="-8141.6" />
+  <E value="10145" />
+  <Tmin units="K"  value="282.7" />
+  <Tmax units="K"  value="1806.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8742" />
+  <B value="897.68" />
+  <C value="-0.5066" />
+  <D value="2.0784E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7627E-07" />
+  <B value="0.57415" />
+  <C value="196.9" />
+  <D value="-172.94" />
+  <Tmin units="K"  value="391.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.001637" />
+  <B value="-138.28" />
+  <C value="-0.62782" />
+  <D value="-0.0040963" />
+  <E value="8.9774E-07" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056588" />
+  <B value="1.0789" />
+  <C value="-123.05" />
+  <D value="173090" />
+  <Tmin units="K"  value="391.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.044466" />
+  <B value="-81.024" />
+  <C value="-1.6153" />
+  <D value="-0.0032549" />
+  <E value="0.0000014934" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="550.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="59681" />
+  <B value="280.36" />
+  <C value="0.8618" />
+  <D value="-0.0012731" />
+  <E value="5.0619E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.025" />
+  <B value="3214.3" />
+  <C value="-53.307" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.7324" />
+  <B value="-0.010064" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.497393E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.1216" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603593" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.716248" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.362" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16101" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.362" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16101" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="619-99-8" />
+<Smiles name="SMILES"  value="CCC(CC)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="32" />
+<CompoundID name="Name"  value="2,2-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="151.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="151.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000215228" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16529" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.339" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.392E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14580" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.24723E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.0711E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432710" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6778080" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0429" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06247E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8856" />
+  <B value="-0.0064827" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.79" />
+  <Tmax units="K"  value="151.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54681" />
+  <B value="0.26386" />
+  <C value="549.8" />
+  <D value="0.27774" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.06922" />
+  <B value="-7328.821" />
+  <C value="-10.84298" />
+  <D value="7.99047E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.211522E+07" />
+  <B value="1.000418" />
+  <C value="-0.588989" />
+  <D value="-0.277913" />
+  <E value="0.313577" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="549.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125360" />
+  <B value="373.89" />
+  <C value="5.844" />
+  <D value="0.022419" />
+  <E value="-0.00002308" />
+  <Tmin units="K"  value="192.43" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97647" />
+  <B value="-528.4" />
+  <C value="13.112" />
+  <D value="0.00027844" />
+  <E value="-9.0187E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2681" />
+  <B value="-314.72" />
+  <C value="-51.398" />
+  <D value="-8276.4" />
+  <E value="13167" />
+  <Tmin units="K"  value="274.9" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.328" />
+  <B value="1166.6" />
+  <C value="-0.039718" />
+  <D value="2.6889E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018535" />
+  <B value="0.38476" />
+  <C value="528.24" />
+  <D value="78.686" />
+  <Tmin units="K"  value="379.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03878" />
+  <B value="5.2314" />
+  <C value="-1.6985" />
+  <D value="-0.00038448" />
+  <E value="-0.000001806" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000045965" />
+  <B value="1.1142" />
+  <C value="-113.91" />
+  <D value="162780" />
+  <Tmin units="K"  value="379.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011295" />
+  <B value="24.139" />
+  <C value="-3.1748" />
+  <D value="0.000033195" />
+  <E value="-0.0000045811" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28702" />
+  <B value="459.14" />
+  <C value="0.50436" />
+  <D value="-0.00093712" />
+  <E value="3.9344E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.822" />
+  <B value="3046.8" />
+  <C value="-52.24" />
+  <Tmin units="K"  value="331.23" />
+  <Tmax units="K"  value="490.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.7156" />
+  <B value="-0.019243" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.180576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="301.1639" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47174" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.061412" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.700157" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16529" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000599" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0203" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.339" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14580" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16529" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-73-8" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="33" />
+<CompoundID name="Name"  value="2,3-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH3)CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4682" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.76" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16131" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.347" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.363E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.13886E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.50206E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0586" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07176E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.46" />
+  <B value="-2.5002E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48655" />
+  <B value="0.24924" />
+  <C value="563.43" />
+  <D value="0.24533" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.31" />
+  <B value="-8083.9" />
+  <C value="-12.636" />
+  <D value="0.000008991" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5877E+07" />
+  <B value="0.44475" />
+  <C value="0.4503" />
+  <D value="-0.98905" />
+  <E value="0.49662" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="548.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="563.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-256410" />
+  <B value="53.354" />
+  <C value="11.988" />
+  <D value="0.00458" />
+  <E value="-0.0000045457" />
+  <Tmin units="K"  value="138.5" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55247" />
+  <B value="-379.2" />
+  <C value="12.913" />
+  <D value="0.00048944" />
+  <E value="-1.5722E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27351" />
+  <B value="-363.66" />
+  <C value="-49.524" />
+  <D value="-11049" />
+  <E value="21772" />
+  <Tmin units="K"  value="281.7" />
+  <Tmax units="K"  value="1799.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.0389" />
+  <B value="480.9" />
+  <C value="-3.1555" />
+  <D value="0.0000074225" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4497E-07" />
+  <B value="0.56168" />
+  <C value="244.71" />
+  <D value="41.585" />
+  <Tmin units="K"  value="388.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0041864" />
+  <B value="-133.36" />
+  <C value="-0.65326" />
+  <D value="-0.003975" />
+  <E value="8.3867E-07" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000025619" />
+  <B value="1.1862" />
+  <C value="-177.9" />
+  <D value="153600" />
+  <Tmin units="K"  value="388.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.05024" />
+  <B value="1.1882" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="563.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-29882" />
+  <B value="839.62" />
+  <C value="-0.40575" />
+  <D value="-0.000028435" />
+  <E value="6.5601E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.01" />
+  <B value="3204.6" />
+  <C value="-50.852" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.8925" />
+  <B value="-0.0092431" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.196288E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="300.3107" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50585" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0607317" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.715524" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.347" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16131" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002424" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0396" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15020" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="584-94-1" />
+<Smiles name="SMILES"  value="CC(C)C(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="34" />
+<CompoundID name="Name"  value="2,4-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.472" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.58" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16408" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.344" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.267E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.19409E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.17152E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0474" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06733E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.32" />
+  <B value="-8.5435E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49412" />
+  <B value="0.25086" />
+  <C value="553.5" />
+  <D value="0.26728" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.45" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.28" />
+  <B value="-8135.7" />
+  <C value="-13.268" />
+  <D value="0.0000097316" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4006E+07" />
+  <B value="0.43973" />
+  <C value="0.30966" />
+  <D value="-0.70429" />
+  <E value="0.35515" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="538.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="553.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-373730" />
+  <B value="38.479" />
+  <C value="12.478" />
+  <D value="0.0035274" />
+  <E value="-0.0000034858" />
+  <Tmin units="K"  value="137.68" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68028" />
+  <B value="-390.94" />
+  <C value="12.9" />
+  <D value="0.00049032" />
+  <E value="-1.6117E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27345" />
+  <B value="-357.14" />
+  <C value="-46.872" />
+  <D value="-11112" />
+  <E value="22737" />
+  <Tmin units="K"  value="276.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.459" />
+  <B value="1208.2" />
+  <C value="0.16649" />
+  <D value="-2.1296E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013835" />
+  <B value="0.41886" />
+  <C value="453.95" />
+  <D value="-1216.3" />
+  <Tmin units="K"  value="382.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012272" />
+  <B value="-146.3" />
+  <C value="-0.49024" />
+  <D value="-0.0043592" />
+  <E value="0.0000013669" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028277" />
+  <B value="1.1747" />
+  <C value="-150.01" />
+  <D value="140960" />
+  <Tmin units="K"  value="382.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040538" />
+  <B value="-89.906" />
+  <C value="-1.6196" />
+  <D value="-0.0034572" />
+  <E value="0.0000015869" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="553.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-28036" />
+  <B value="903.33" />
+  <C value="-0.60421" />
+  <D value="0.00018092" />
+  <E value="-8.5639E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.948" />
+  <B value="3123.7" />
+  <C value="-51.012" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1397" />
+  <B value="-0.011142" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.215704E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.0337" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46325" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616382" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.701075" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.344" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16408" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001943" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.99872" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14650" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16408" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-43-5" />
+<Smiles name="SMILES"  value="CC(C)CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="35" />
+<CompoundID name="Name"  value="2,5-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH2CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="550" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0683715" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1657" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.357" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.452E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.22631E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.046E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442330" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.29537E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0696" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06398E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6373" />
+  <B value="-0.0052793" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.8" />
+  <Tmax units="K"  value="182" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49779" />
+  <B value="0.2525" />
+  <C value="550" />
+  <D value="0.26429" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.65473" />
+  <B value="-7122.285" />
+  <C value="-9.843559" />
+  <D value="7.04047E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2389E+07" />
+  <B value="1.0017" />
+  <C value="-0.72582" />
+  <D value="-0.024698" />
+  <E value="0.19155" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="550" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-51796" />
+  <B value="-110.09" />
+  <C value="12.759" />
+  <D value="0.00089408" />
+  <E value="-0.0000004354" />
+  <Tmin units="K"  value="208.7" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66542" />
+  <B value="-399.08" />
+  <C value="12.9" />
+  <D value="0.00049831" />
+  <E value="-1.6255E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27338" />
+  <B value="-354.69" />
+  <C value="-46.241" />
+  <D value="-8382" />
+  <E value="15583" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.9399" />
+  <B value="836.45" />
+  <C value="-1.3966" />
+  <D value="0.00000447" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.3872E-07" />
+  <B value="0.47833" />
+  <C value="344.26" />
+  <D value="27.957" />
+  <Tmin units="K"  value="382.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074336" />
+  <B value="3.6543" />
+  <C value="-1.5091" />
+  <D value="-0.00039812" />
+  <E value="-0.0000013255" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000029331" />
+  <B value="1.1695" />
+  <C value="-138.07" />
+  <D value="145330" />
+  <Tmin units="K"  value="382.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092168" />
+  <B value="46.652" />
+  <C value="-3.4804" />
+  <D value="0.0011019" />
+  <E value="-0.0000063095" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11366" />
+  <B value="725.73" />
+  <C value="-0.14958" />
+  <D value="-0.00027795" />
+  <E value="0.0000001544" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.777" />
+  <B value="3002.6" />
+  <C value="-57.773" />
+  <Tmin units="K"  value="333.13" />
+  <Tmax units="K"  value="491.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9193" />
+  <B value="-0.01228" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.299601E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.1748" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.48407" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616138" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.698238" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.357" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1657" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001621" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.357" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1657" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-13-2" />
+<Smiles name="SMILES"  value="CC(C)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="36" />
+<CompoundID name="Name"  value="3,3-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="385.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="147.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="147.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000473645" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16181" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.32" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.717E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2012E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.32633E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="438230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7112800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9621" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06682E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9019" />
+  <B value="-0.006722" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="58.82" />
+  <Tmax units="K"  value="147.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45959" />
+  <B value="0.24567" />
+  <C value="562" />
+  <D value="0.21162" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="561.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.95" />
+  <B value="-8119.3" />
+  <C value="-13.232" />
+  <D value="0.0000097251" />
+  <E value="2" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="562" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8755E+07" />
+  <B value="0.81257" />
+  <C value="-0.27217" />
+  <D value="-0.51422" />
+  <E value="0.40803" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="540.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="562" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130950" />
+  <B value="-54.41" />
+  <C value="9.7102" />
+  <D value="0.0098373" />
+  <E value="-0.0000089507" />
+  <Tmin units="K"  value="226.41" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73854" />
+  <B value="-426.62" />
+  <C value="12.974" />
+  <D value="0.00044554" />
+  <E value="-1.4645E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26895" />
+  <B value="-323.28" />
+  <C value="-54.431" />
+  <D value="-10397" />
+  <E value="17361" />
+  <Tmin units="K"  value="281" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.0202" />
+  <B value="924.42" />
+  <C value="-0.69061" />
+  <D value="0.0000021821" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9286E-07" />
+  <B value="0.65784" />
+  <C value="75.166" />
+  <D value="8686.9" />
+  <Tmin units="K"  value="385.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074777" />
+  <B value="3.6654" />
+  <C value="-1.4953" />
+  <D value="-0.00045709" />
+  <E value="-0.000001113" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028072" />
+  <B value="1.1786" />
+  <C value="-168.43" />
+  <D value="151580" />
+  <Tmin units="K"  value="385.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013471" />
+  <B value="13.363" />
+  <C value="-2.98" />
+  <D value="-0.00049832" />
+  <E value="-0.0000034578" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="540.16" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17402" />
+  <B value="785.55" />
+  <C value="-0.23347" />
+  <D value="-0.00023372" />
+  <E value="1.5099E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.871" />
+  <B value="3143.9" />
+  <C value="-48.698" />
+  <Tmin units="K"  value="343.14" />
+  <Tmax units="K"  value="503.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4713" />
+  <B value="-0.013535" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.470891E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.2065" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0599069" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.713866" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16181" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001728" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.32" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14880" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16181" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-16-6" />
+<Smiles name="SMILES"  value="CCC(C)(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="37" />
+<CompoundID name="Name"  value="3,4-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4588" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.88" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15973" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.23E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.13007E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.674E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451580" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0404" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07251E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.54" />
+  <B value="-6.8305E-18" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45439" />
+  <B value="0.24011" />
+  <C value="568.8" />
+  <D value="0.23618" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.78" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.68625" />
+  <B value="-7521.509" />
+  <C value="-10.73445" />
+  <D value="7.52569E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4702E+07" />
+  <B value="0.45918" />
+  <C value="0.1856" />
+  <D value="-0.51513" />
+  <E value="0.26338" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.18" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="568.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-327870" />
+  <B value="47.226" />
+  <C value="12.229" />
+  <D value="0.0041484" />
+  <E value="-0.000004128" />
+  <Tmin units="K"  value="138.78" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34075" />
+  <B value="-331.34" />
+  <C value="12.881" />
+  <D value="0.00054108" />
+  <E value="-1.7153E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27419" />
+  <B value="-368.34" />
+  <C value="-50.667" />
+  <D value="-11826" />
+  <E value="23331" />
+  <Tmin units="K"  value="284.4" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.742" />
+  <B value="2125.1" />
+  <C value="4.8163" />
+  <D value="-0.0000056466" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4152E-07" />
+  <B value="0.51789" />
+  <C value="310.46" />
+  <D value="157.69" />
+  <Tmin units="K"  value="390.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0004002" />
+  <B value="-144.47" />
+  <C value="-0.57247" />
+  <D value="-0.0042745" />
+  <E value="0.0000010836" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000020807" />
+  <B value="1.2133" />
+  <C value="-200.76" />
+  <D value="152640" />
+  <Tmin units="K"  value="390.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.064052" />
+  <B value="-52.814" />
+  <C value="-1.681" />
+  <D value="-0.0023574" />
+  <E value="0.0000011157" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-51117" />
+  <B value="968.82" />
+  <C value="-0.69434" />
+  <D value="0.00024619" />
+  <E value="-2.8602E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.996" />
+  <B value="3219" />
+  <C value="-50.972" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.9827" />
+  <B value="-0.0089632" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.083117E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.5716" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44525" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603305" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.723382" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15973" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001744" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.91017" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15973" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="583-48-2" />
+<Smiles name="SMILES"  value="CCC(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="38" />
+<CompoundID name="Name"  value="2-methyl-3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4453" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000447428" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15972" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.181E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.11208E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.87861E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="443760" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13386E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97631" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07477E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9908" />
+  <B value="-0.0063143" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.28" />
+  <Tmax units="K"  value="158.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54567" />
+  <B value="0.26412" />
+  <C value="567.03" />
+  <D value="0.24308" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="567.02" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.12933" />
+  <B value="-7403.468" />
+  <C value="-10.51119" />
+  <D value="7.396006E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="567.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9697E+07" />
+  <B value="0.73134" />
+  <C value="0.033175" />
+  <D value="-0.91459" />
+  <E value="0.58962" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="545.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="567" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="11076" />
+  <B value="-131.1" />
+  <C value="12.479" />
+  <D value="0.0013888" />
+  <E value="-7.3844E-07" />
+  <Tmin units="K"  value="173.57" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86476" />
+  <B value="-441" />
+  <C value="12.894" />
+  <D value="0.00051253" />
+  <E value="-1.9205E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2727" />
+  <B value="-363.94" />
+  <C value="-51.79" />
+  <D value="-4127.4" />
+  <E value="2402.8" />
+  <Tmin units="K"  value="283.5" />
+  <Tmax units="K"  value="1813.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.931" />
+  <B value="1059.8" />
+  <C value="-0.066598" />
+  <D value="1.3283E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.6587E-07" />
+  <B value="0.52506" />
+  <C value="255.1" />
+  <D value="-76.481" />
+  <Tmin units="K"  value="388.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.069311" />
+  <B value="4.0311" />
+  <C value="-1.5221" />
+  <D value="-0.00039448" />
+  <E value="-0.0000012799" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000026967" />
+  <B value="1.1845" />
+  <C value="-133.92" />
+  <D value="140280" />
+  <Tmin units="K"  value="388.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013529" />
+  <B value="15.88" />
+  <C value="-2.9699" />
+  <D value="-0.00045495" />
+  <E value="-0.0000035111" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="545.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7258.5" />
+  <B value="791.48" />
+  <C value="-0.44225" />
+  <D value="0.000098111" />
+  <E value="0" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.899" />
+  <B value="3165.8" />
+  <C value="-51.044" />
+  <Tmin units="K"  value="343.26" />
+  <Tmax units="K"  value="503.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6297" />
+  <B value="-0.016398" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.378964E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0599464" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.723932" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15972" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002499" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15972" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="609-26-7" />
+<Smiles name="SMILES"  value="CC(C)C(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="39" />
+<CompoundID name="Name"  value="3-methyl-3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="576.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0625263" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15788" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.305" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.928E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1485E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.288E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93763" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9635" />
+  <B value="-0.0054551" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.91" />
+  <Tmax units="K"  value="182.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59884" />
+  <B value="0.27253" />
+  <C value="576.5" />
+  <D value="0.28169" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.77668" />
+  <B value="-7097.92" />
+  <C value="-9.572218" />
+  <D value="6.70781E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3775E+07" />
+  <B value="1.5194" />
+  <C value="-2.4569" />
+  <D value="2.0687" />
+  <E value="-0.69375" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="576.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77769" />
+  <B value="172.95" />
+  <C value="9.182" />
+  <D value="0.01021" />
+  <E value="-0.0000086615" />
+  <Tmin units="K"  value="201.78" />
+  <Tmax units="K"  value="381.78" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89715" />
+  <B value="-509.11" />
+  <C value="13.135" />
+  <D value="0.00024858" />
+  <E value="-7.767E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28104" />
+  <B value="-352.27" />
+  <C value="-50.671" />
+  <D value="-6199.9" />
+  <E value="-111.85" />
+  <Tmin units="K"  value="249" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.59" />
+  <B value="1270.3" />
+  <C value="1.2467" />
+  <D value="-0.0000036226" />
+  <E value="2" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5822E-07" />
+  <B value="0.50218" />
+  <C value="361.22" />
+  <D value="-3635.6" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.037427" />
+  <B value="7.7785" />
+  <C value="-1.7161" />
+  <D value="-0.00028317" />
+  <E value="-0.0000017728" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000021773" />
+  <B value="1.2197" />
+  <C value="-136.64" />
+  <D value="138470" />
+  <Tmin units="K"  value="391.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010536" />
+  <B value="39.464" />
+  <C value="-3.2983" />
+  <D value="0.00058327" />
+  <E value="-0.0000050348" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11225" />
+  <B value="736.53" />
+  <C value="-0.16305" />
+  <D value="-0.00026099" />
+  <E value="1.4875E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="3242" />
+  <C value="-45.986" />
+  <Tmin units="K"  value="348.27" />
+  <Tmax units="K"  value="514.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9795" />
+  <B value="-0.014829" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.000576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.4539" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603583" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.731726" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.305" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15788" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004598" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.305" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15788" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1067-08-9" />
+<Smiles name="SMILES"  value="CCC(C)(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="44" />
+<CompoundID name="Name"  value="2,2,3,3-tetramethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)3CC(CH3)3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="373.84" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="373.96" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="86930.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13902" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.8146E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08868" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.272E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.256E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.223E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="389360" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85792" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4225" />
+  <B value="-0.0044705" />
+  <C value="0.0035846" />
+  <D value="-0.0000082784" />
+  <E value="7.021E-09" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="373.96" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61397" />
+  <B value="0.27674" />
+  <C value="567.8" />
+  <D value="0.28198" />
+  <Tmin units="K"  value="367.55" />
+  <Tmax units="K"  value="557.79" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.66" />
+  <B value="-8500.6" />
+  <C value="-14.863" />
+  <D value="0.000010649" />
+  <E value="2" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="568" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3062E+07" />
+  <B value="0.30484" />
+  <C value="0.85323" />
+  <D value="-1.2161" />
+  <E value="0.48282" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="557.79" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-145070" />
+  <B value="3783.4" />
+  <C value="-18.811" />
+  <D value="0.04824" />
+  <E value="-0.000044479" />
+  <Tmin units="K"  value="130.05" />
+  <Tmax units="K"  value="365.79" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="239620" />
+  <B value="55.905" />
+  <C value="3.1054" />
+  <D value="0.027363" />
+  <E value="-0.000020376" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="426" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73914" />
+  <B value="-415.76" />
+  <C value="12.897" />
+  <D value="0.00056384" />
+  <E value="-1.6707E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27451" />
+  <B value="-340.85" />
+  <C value="-44.213" />
+  <D value="-18.617" />
+  <E value="-11352" />
+  <Tmin units="K"  value="284" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.538" />
+  <B value="1603.5" />
+  <C value="0.8804" />
+  <D value="-0.0000034564" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="454" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9099E-07" />
+  <B value="0.51128" />
+  <C value="412.18" />
+  <D value="-5389.1" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0058143" />
+  <B value="-354.88" />
+  <C value="0.79351" />
+  <D value="-0.0067293" />
+  <E value="0.0000023134" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="426" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000012508" />
+  <B value="1.3068" />
+  <C value="-132.52" />
+  <D value="121650" />
+  <Tmin units="K"  value="379.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0045024" />
+  <B value="622.88" />
+  <C value="-8.8445" />
+  <D value="0.017204" />
+  <E value="-0.000023129" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="557.79" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6385.5" />
+  <B value="606.54" />
+  <C value="0.13794" />
+  <D value="-0.00052564" />
+  <E value="2.3996E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.509" />
+  <B value="2922.6" />
+  <C value="-54.055" />
+  <Tmin units="K"  value="374" />
+  <Tmax units="K"  value="506.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2178" />
+  <B value="-0.011395" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="454" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486727" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.740172E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="379.208" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.28" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0605327" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.726041" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.248" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13902" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.088" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.035734" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.248" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13902" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="594-82-1" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="47" />
+<CompoundID name="Name"  value="2,2,5-trimethylhexane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.519" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000968629" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18225" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.658E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09892" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.387E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.533E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.38E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="461700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6200000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.047" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.66643E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.9031" />
+  <B value="-0.0051346" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.96" />
+  <Tmax units="K"  value="167.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45081" />
+  <B value="0.25256" />
+  <C value="569.81" />
+  <D value="0.27357" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="569.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.84" />
+  <B value="-9023.578" />
+  <C value="-17.08913" />
+  <D value="0.0000169305" />
+  <E value="2" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="569.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.039801E+07" />
+  <B value="1.702411" />
+  <C value="-1.574913" />
+  <D value="0.0056916" />
+  <E value="0.373292" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="548.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="568.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84566" />
+  <B value="233.86" />
+  <C value="8.46" />
+  <D value="0.013452" />
+  <E value="-0.000012421" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102010" />
+  <B value="-531.68" />
+  <C value="13.312" />
+  <D value="0.00017105" />
+  <E value="-4.7837E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30277" />
+  <B value="-381.25" />
+  <C value="-61.035" />
+  <D value="-9428.8" />
+  <E value="13429" />
+  <Tmin units="K"  value="247.39" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.084" />
+  <B value="1011.7" />
+  <C value="0.13186" />
+  <D value="-0.000000312" />
+  <E value="2" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7588E-07" />
+  <B value="0.49876" />
+  <C value="301.49" />
+  <D value="-1437" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13721" />
+  <B value="56.65" />
+  <C value="-1.9542" />
+  <D value="0.0024543" />
+  <E value="-0.0000043702" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030176" />
+  <B value="1.1642" />
+  <C value="-156.95" />
+  <D value="161470" />
+  <Tmin units="K"  value="397.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010292" />
+  <B value="28.787" />
+  <C value="-3.249" />
+  <D value="0.00020541" />
+  <E value="-0.0000047205" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="548.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11256" />
+  <B value="868.51" />
+  <C value="-0.4353" />
+  <D value="0.000083238" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.61" />
+  <B value="3036.5" />
+  <C value="-62.963" />
+  <Tmin units="K"  value="341.8" />
+  <Tmax units="K"  value="506.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5103" />
+  <B value="-0.014267" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.5501" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.728927E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="270.9221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27819" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0679927" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.712422" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3571" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18225" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5207" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.548" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000017" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.67699" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3571" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18225" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3522-94-9" />
+<Smiles name="SMILES"  value="CC(C)(C)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="49" />
+<CompoundID name="Name"  value="2,4,4-trimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="583" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.509" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="403.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.78" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.78" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000306827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.178125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.352203" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.432E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09892" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.387E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.403E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.5E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="468400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.1808" />
+  <B value="-0.0064001" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.91" />
+  <Tmax units="K"  value="159.78" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.098546" />
+  <B value="0.11862" />
+  <C value="583" />
+  <D value="0.15161" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.1127" />
+  <B value="-9541.532" />
+  <C value="-18.4559" />
+  <D value="0.0000171318" />
+  <E value="2" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5551E+07" />
+  <B value="0.63316" />
+  <C value="-0.60532" />
+  <D value="0.59593" />
+  <E value="-0.24062" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="583" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36795" />
+  <B value="-79.414" />
+  <C value="11.689" />
+  <D value="0.0041098" />
+  <E value="-0.0000031494" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="403.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84170" />
+  <B value="-452.22" />
+  <C value="13.167" />
+  <D value="0.00035197" />
+  <E value="-1.1076E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33299" />
+  <B value="-391.8" />
+  <C value="-66.527" />
+  <D value="-6374" />
+  <E value="-5982.8" />
+  <Tmin units="K"  value="290.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.9748" />
+  <B value="1194.1" />
+  <C value="-0.75025" />
+  <D value="-2.9452E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000003308" />
+  <B value="0.60466" />
+  <C value="252.52" />
+  <D value="-7535.6" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061213" />
+  <B value="3.6115" />
+  <C value="-1.5687" />
+  <D value="-0.00048198" />
+  <E value="-0.000001134" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="403.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028131" />
+  <B value="1.1825" />
+  <C value="-103.57" />
+  <D value="142450" />
+  <Tmin units="K"  value="403.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016164" />
+  <B value="11.187" />
+  <C value="-2.915" />
+  <D value="-0.00065885" />
+  <E value="-0.0000025171" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26639" />
+  <B value="942.63" />
+  <C value="-0.52031" />
+  <D value="0.00011267" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.68" />
+  <B value="3161.4" />
+  <C value="-58.474" />
+  <Tmin units="K"  value="351" />
+  <Tmax units="K"  value="514.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6176" />
+  <B value="-0.017458" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.5501" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.502101E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.185" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0676501" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.728934" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.352203" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.178125" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5207" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.548" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.352203" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14590" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.178125" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-30-1" />
+<Smiles name="SMILES"  value="CC(C)CC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="50" />
+<CompoundID name="Name"  value="3,3-diethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(C2H5)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="610.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2674980" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.473" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="419.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.7918" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.171012" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3379" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15220" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.388E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.31835E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9800000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97551" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68438E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.812" />
+  <B value="-0.0035815" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.05" />
+  <Tmax units="K"  value="240.12" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61216" />
+  <B value="0.28967" />
+  <C value="610.05" />
+  <D value="0.29325" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.8917" />
+  <B value="-9842.666" />
+  <C value="-18.51396" />
+  <D value="0.000016514" />
+  <E value="2" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0222E+07" />
+  <B value="-0.028455" />
+  <C value="0.90984" />
+  <D value="-0.78409" />
+  <E value="0.24027" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6779" />
+  <B value="1486.6" />
+  <C value="-4.3383" />
+  <D value="0.0056081" />
+  <E value="0.000012002" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="240.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="167890" />
+  <B value="37.678" />
+  <C value="8.6605" />
+  <D value="0.012988" />
+  <E value="-0.000011813" />
+  <Tmin units="K"  value="240.1" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120540" />
+  <B value="-563.25" />
+  <C value="13.32" />
+  <D value="0.00012473" />
+  <E value="-3.6626E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26457" />
+  <B value="-346.37" />
+  <C value="-88.76" />
+  <D value="-14602" />
+  <E value="15928" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.975" />
+  <B value="1131.8" />
+  <C value="0.25767" />
+  <D value="-3.4761E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6575E-07" />
+  <B value="0.57536" />
+  <C value="184.44" />
+  <D value="2017.7" />
+  <Tmin units="K"  value="419.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021495" />
+  <B value="-29.993" />
+  <C value="-1.4603" />
+  <D value="-0.0013716" />
+  <E value="-7.6272E-07" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000069723" />
+  <B value="1.0959" />
+  <C value="342.29" />
+  <D value="74930" />
+  <Tmin units="K"  value="419.34" />
+  <Tmax units="K"  value="999.34" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.09195" />
+  <B value="-27.641" />
+  <C value="-1.6687" />
+  <D value="-0.001559" />
+  <E value="7.4071E-07" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13160" />
+  <B value="797.17" />
+  <C value="-0.3726" />
+  <D value="0.000062998" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.726" />
+  <B value="3317.6" />
+  <C value="-58.699" />
+  <Tmin units="K"  value="373.64" />
+  <Tmax units="K"  value="532.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.5181" />
+  <B value="-0.010538" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.710682E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.0522" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0660643" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.757461" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3379" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.171012" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.552" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009265" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3379" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15220" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.171012" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1067-20-5" />
+<Smiles name="SMILES"  value="CCC(CC)(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="51" />
+<CompoundID name="Name"  value="2,2,3,3-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="607.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="413.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="263.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="133.839" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17034" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.1E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.407E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.36856E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.74E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2300000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93709" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68149E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7007" />
+  <B value="-0.0032505" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="105.3" />
+  <Tmax units="K"  value="263.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58952" />
+  <B value="0.28267" />
+  <C value="607.6" />
+  <D value="0.29572" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="589.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="139.0487" />
+  <B value="-9535.451" />
+  <C value="-17.78617" />
+  <D value="0.0000157521" />
+  <E value="2" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3713E+07" />
+  <B value="0.39899" />
+  <C value="-0.032998" />
+  <D value="0.06374" />
+  <E value="-0.0535" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8132.5" />
+  <B value="1274" />
+  <C value="-2.5935" />
+  <D value="0.014873" />
+  <E value="-0.000051282" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="174.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116740" />
+  <B value="-86.104" />
+  <C value="11.13" />
+  <D value="0.0046308" />
+  <E value="-0.000003068" />
+  <Tmin units="K"  value="263.4" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55048" />
+  <B value="-357.31" />
+  <C value="13.013" />
+  <D value="0.00055209" />
+  <E value="-1.6211E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30532" />
+  <B value="-388.69" />
+  <C value="-73.537" />
+  <D value="-25110" />
+  <E value="47691" />
+  <Tmin units="K"  value="303.75" />
+  <Tmax units="K"  value="1949.43" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.7597" />
+  <B value="1441.2" />
+  <C value="-0.37772" />
+  <D value="-0.000001226" />
+  <E value="2" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1934E-07" />
+  <B value="0.48521" />
+  <C value="356.82" />
+  <D value="-1384.3" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0045701" />
+  <B value="-120.11" />
+  <C value="-0.775" />
+  <D value="-0.0036256" />
+  <E value="9.650699E-07" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="413.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000014917" />
+  <B value="1.2661" />
+  <C value="-211.67" />
+  <D value="155870" />
+  <Tmin units="K"  value="413.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067505" />
+  <B value="-40.086" />
+  <C value="-1.7701" />
+  <D value="-0.0019128" />
+  <E value="8.1111E-07" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-50045" />
+  <B value="1093.4" />
+  <C value="-0.82446" />
+  <D value="0.00037581" />
+  <E value="-7.7657E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.567" />
+  <B value="3186.4" />
+  <C value="-60.994" />
+  <Tmin units="K"  value="368.1" />
+  <Tmax units="K"  value="535.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3449" />
+  <B value="-0.012915" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.052637E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="351.2684" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0661158" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.760702" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17034" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.628" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.002328" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17034" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7154-79-2" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="52" />
+<CompoundID name="Name"  value="2,2,3,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH(CH3)CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="592.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.49" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="406.18" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.06" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.06" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000053591" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.179229" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.16E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.386E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.37358E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.26352E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="452834" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="500000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95146" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68208E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.2756" />
+  <B value="-0.0060479" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.82" />
+  <Tmax units="K"  value="152.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42889" />
+  <B value="0.24425" />
+  <C value="592.7" />
+  <D value="0.24983" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.07" />
+  <B value="-9700.5" />
+  <C value="-17.255" />
+  <D value="0.000012062" />
+  <E value="2" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.771831E+07" />
+  <B value="1.016576" />
+  <C value="-1.835135" />
+  <D value="2.12911" />
+  <E value="-0.921819" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="592.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177720" />
+  <B value="-50.337" />
+  <C value="8.3416" />
+  <D value="0.015008" />
+  <E value="-0.000013849" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="406.18" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83946" />
+  <B value="-465.16" />
+  <C value="13.193" />
+  <D value="0.000328" />
+  <E value="-9.6189E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30123" />
+  <B value="-401.73" />
+  <C value="-67.509" />
+  <D value="-13419" />
+  <E value="21834" />
+  <Tmin units="K"  value="296.08" />
+  <Tmax units="K"  value="1892.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.182" />
+  <B value="1248.5" />
+  <C value="-0.55988" />
+  <D value="-2.1902E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="474.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9083E-07" />
+  <B value="0.57522" />
+  <C value="220.52" />
+  <D value="-776.34" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045924" />
+  <B value="4.3553" />
+  <C value="-1.6529" />
+  <D value="-0.00040588" />
+  <E value="-0.000001389" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="406.18" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019408" />
+  <B value="1.2262" />
+  <C value="-198.62" />
+  <D value="159810" />
+  <Tmin units="K"  value="406.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012296" />
+  <B value="16.67" />
+  <C value="-3.0272" />
+  <D value="-0.00038099" />
+  <E value="-0.0000033807" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45081" />
+  <B value="1026.9" />
+  <C value="-0.66774" />
+  <D value="0.00021534" />
+  <E value="-2.1701E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.558" />
+  <B value="3122" />
+  <C value="-60.513" />
+  <Tmin units="K"  value="360.74" />
+  <Tmax units="K"  value="523.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.3033" />
+  <B value="-0.017906" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="474.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.476529E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.835" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.066584" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.743261" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5199" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.544" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002088" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.179229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1186-53-4" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="53" />
+<CompoundID name="Name"  value="2,2,4,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2C(CH3)2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571.35" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2360870" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.504" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="395.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.83952" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17923" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.313609" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.86E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.407E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.41375E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.40159E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="431496" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9700000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95089" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.67978E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7417" />
+  <B value="-0.0041681" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.78" />
+  <Tmax units="K"  value="206.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.47711" />
+  <B value="0.25904" />
+  <C value="574.61" />
+  <D value="0.26647" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="574.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.5701" />
+  <B value="-9035.55" />
+  <C value="-17.5287" />
+  <D value="0.0000167892" />
+  <E value="2" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="574.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.75823E+07" />
+  <B value="1.154086" />
+  <C value="-2.055247" />
+  <D value="2.209851" />
+  <E value="-0.923166" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="555.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3662.8" />
+  <B value="1207.7" />
+  <C value="-1.0811" />
+  <D value="-0.016528" />
+  <E value="0.000094782" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="206.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119280" />
+  <B value="88.665" />
+  <C value="9.3063" />
+  <D value="0.010453" />
+  <E value="-0.0000091934" />
+  <Tmin units="K"  value="206.61" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122670" />
+  <B value="-599.26" />
+  <C value="13.402" />
+  <D value="0.000099085" />
+  <E value="-1.741E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30694" />
+  <B value="-369.96" />
+  <C value="-60.863" />
+  <D value="-20132" />
+  <E value="40675" />
+  <Tmin units="K"  value="285.68" />
+  <Tmax units="K"  value="1827.68" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.148" />
+  <B value="1468.8" />
+  <C value="-0.33327" />
+  <D value="-0.0000013179" />
+  <E value="2" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="459.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.8808E-07" />
+  <B value="0.52306" />
+  <C value="289.62" />
+  <D value="-2721.1" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038909" />
+  <B value="-2.6455" />
+  <C value="-1.623" />
+  <D value="-0.0006558" />
+  <E value="-0.0000013711" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="395.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015165" />
+  <B value="1.2696" />
+  <C value="-148.49" />
+  <D value="133700" />
+  <Tmin units="K"  value="395.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0065574" />
+  <B value="70.429" />
+  <C value="-3.7855" />
+  <D value="0.0020966" />
+  <E value="-0.0000079684" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="555.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8603.1" />
+  <B value="793.17" />
+  <C value="-0.33044" />
+  <D value="0.000047239" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.498" />
+  <B value="3022.6" />
+  <C value="-58.531" />
+  <Tmin units="K"  value="343.77" />
+  <Tmax units="K"  value="497.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9999" />
+  <B value="-0.016657" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="459.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.375219E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.5483" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0662001" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.725823" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.313609" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17923" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.628" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001878" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.313609" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17923" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1070-87-7" />
+<Smiles name="SMILES"  value="CC(C)(C)CC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="54" />
+<CompoundID name="Name"  value="2,3,3,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)2CHC(CH3)2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="607.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.493" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.03" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00089642" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.313" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.2E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.386E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.361E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.8E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95099" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6822E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.3777" />
+  <B value="-0.006123" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.41" />
+  <Tmax units="K"  value="171.03" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49299" />
+  <B value="0.25927" />
+  <C value="607.51" />
+  <D value="0.27003" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="607.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.047" />
+  <B value="-7201.2" />
+  <C value="-8.4677" />
+  <D value="0.0000051332" />
+  <E value="2" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="607.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5207E+07" />
+  <B value="0.63465" />
+  <C value="-0.82041" />
+  <D value="1.0175" />
+  <E value="-0.45604" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="584.53" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="607.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61477" />
+  <B value="20.611" />
+  <C value="11.082" />
+  <D value="0.0041652" />
+  <E value="-0.0000014763" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="414.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50811" />
+  <B value="-338.13" />
+  <C value="12.991" />
+  <D value="0.00056259" />
+  <E value="-1.7284E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30059" />
+  <B value="-410.94" />
+  <C value="-73.01" />
+  <D value="-15607" />
+  <E value="25044" />
+  <Tmin units="K"  value="303.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.4098" />
+  <B value="1217" />
+  <C value="-0.67198" />
+  <D value="-2.7904E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7299E-07" />
+  <B value="0.59636" />
+  <C value="289.93" />
+  <D value="-9056.4" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.058699" />
+  <B value="3.5637" />
+  <C value="-1.5648" />
+  <D value="-0.000479" />
+  <E value="-0.0000010469" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="414.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000035577" />
+  <B value="1.1602" />
+  <C value="-50.424" />
+  <D value="142790" />
+  <Tmin units="K"  value="414.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015328" />
+  <B value="14.362" />
+  <C value="-2.9182" />
+  <D value="-0.00052501" />
+  <E value="-0.0000026764" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="584.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-76402" />
+  <B value="1346.3" />
+  <C value="-1.4905" />
+  <D value="0.001055" />
+  <E value="-3.2169E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.915" />
+  <B value="3420.9" />
+  <C value="-50.35" />
+  <Tmin units="K"  value="365" />
+  <Tmax units="K"  value="538.58" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0446" />
+  <B value="-0.015849" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.38854E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.8323" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06644" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.758871" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.313" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5199" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.544" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005733" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.313" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-38-9" />
+<Smiles name="SMILES"  value="CC(C)C(C)(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="91" />
+<CompoundID name="Name"  value="2-methyloctane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)5CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="416.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="193.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0206" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18075" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.423" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.973E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.348E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.21E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="496800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.8E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15253" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6791E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7885" />
+  <B value="-0.0045145" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.52" />
+  <Tmax units="K"  value="193.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.048725" />
+  <B value="0.083928" />
+  <C value="587" />
+  <D value="0.13299" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="582.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="117.6637" />
+  <B value="-9065.067" />
+  <C value="-14.28093" />
+  <D value="0.0000101806" />
+  <E value="2" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="586.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8687E+07" />
+  <B value="1.3406" />
+  <C value="-2.5809" />
+  <D value="2.7985" />
+  <E value="-1.1501" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="582.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25158" />
+  <B value="2699" />
+  <C value="-23.134" />
+  <D value="0.12246" />
+  <E value="-0.00024281" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69326" />
+  <B value="112.91" />
+  <C value="10.449" />
+  <D value="0.0058606" />
+  <E value="-0.0000035224" />
+  <Tmin units="K"  value="193" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145390" />
+  <B value="-732.92" />
+  <C value="13.658" />
+  <D value="-0.00027343" />
+  <E value="8.6186E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32232" />
+  <B value="-409.91" />
+  <C value="-67.241" />
+  <D value="-24500" />
+  <E value="45268" />
+  <Tmin units="K"  value="291.44" />
+  <Tmax units="K"  value="1877.38" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.31" />
+  <B value="1234.5" />
+  <C value="0.50422" />
+  <D value="-0.0000012054" />
+  <E value="2" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000005318" />
+  <B value="0.52649" />
+  <C value="272.37" />
+  <D value="-710.16" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15278" />
+  <B value="14.586" />
+  <C value="-1.1974" />
+  <D value="-0.00013887" />
+  <E value="-9.4417E-07" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="466.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002892" />
+  <B value="1.1595" />
+  <C value="-163.72" />
+  <D value="160440" />
+  <Tmin units="K"  value="416.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095148" />
+  <B value="42.82" />
+  <C value="-3.2759" />
+  <D value="0.00028384" />
+  <E value="-0.0000047898" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="582.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="49172" />
+  <B value="391.1" />
+  <C value="0.86362" />
+  <D value="-0.0013874" />
+  <E value="5.6971E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.199" />
+  <B value="3477.2" />
+  <C value="-56.934" />
+  <Tmin units="K"  value="354.15" />
+  <Tmax units="K"  value="521.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3429" />
+  <B value="-0.012901" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.965301E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.6966" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0686142" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.717479" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.423" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18075" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.423" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18075" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3221-61-2" />
+<Smiles name="SMILES"  value="CC(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="92" />
+<CompoundID name="Name"  value="3-methyloctane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="590.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000898613" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.178944" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412346" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.791E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.7E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68128E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0428" />
+  <B value="-0.0054796" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.22" />
+  <Tmax units="K"  value="165.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4999" />
+  <B value="0.26438" />
+  <C value="590.15" />
+  <D value="0.29155" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="169.345" />
+  <B value="-11170.36" />
+  <C value="-22.26865" />
+  <D value="0.0000190112" />
+  <E value="2" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="590.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3378E+07" />
+  <B value="0.67667" />
+  <C value="-0.53996" />
+  <D value="0.45608" />
+  <E value="-0.18958" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="590.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39163" />
+  <B value="25.328" />
+  <C value="11.626" />
+  <D value="0.0021572" />
+  <E value="2.6369E-07" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="560" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118620" />
+  <B value="-596.81" />
+  <C value="13.418" />
+  <D value="0.0000088283" />
+  <E value="-1.2271E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30664" />
+  <B value="-390.98" />
+  <C value="-75.702" />
+  <D value="-18831" />
+  <E value="29822" />
+  <Tmin units="K"  value="295.07" />
+  <Tmax units="K"  value="1885.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.252" />
+  <B value="1147.6" />
+  <C value="-0.021999" />
+  <D value="4.3706E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="417.38" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.9482E-07" />
+  <B value="0.53152" />
+  <C value="245.99" />
+  <D value="4.1109" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1642" />
+  <B value="10.91" />
+  <C value="-1.1265" />
+  <D value="-0.00023366" />
+  <E value="-7.9637E-07" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="470" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000040968" />
+  <B value="1.1096" />
+  <C value="-178.72" />
+  <D value="180220" />
+  <Tmin units="K"  value="417.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011116" />
+  <B value="17.733" />
+  <C value="-2.999" />
+  <D value="-0.00046999" />
+  <E value="-0.0000037171" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3693.9" />
+  <B value="812.59" />
+  <C value="-0.39408" />
+  <D value="0.000066664" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.613" />
+  <B value="3114.3" />
+  <C value="-74.619" />
+  <Tmin units="K"  value="355.15" />
+  <Tmax units="K"  value="523.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5467" />
+  <B value="-0.015661" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="417.38" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.889501E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="269.7227" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0683818" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724722" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.178944" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.178944" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2216-33-3" />
+<Smiles name="SMILES"  value="CCC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="93" />
+<CompoundID name="Name"  value="4-methyloctane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CHCH3(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587.65" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.523" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000317697" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.179037" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.772E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68166E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0556" />
+  <B value="-0.0055544" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.98" />
+  <Tmax units="K"  value="159.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51336" />
+  <B value="0.26824" />
+  <C value="587.65" />
+  <D value="0.29075" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="168.4912" />
+  <B value="-11138.63" />
+  <C value="-22.13486" />
+  <D value="0.0000188399" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2916E+07" />
+  <B value="0.7446" />
+  <C value="-0.80882" />
+  <D value="0.80228" />
+  <E value="-0.33895" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="587.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71582" />
+  <B value="100.57" />
+  <C value="10.612" />
+  <D value="0.0050783" />
+  <E value="-0.0000024905" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116790" />
+  <B value="-588.34" />
+  <C value="13.412" />
+  <D value="0.000015201" />
+  <E value="-1.4561E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30648" />
+  <B value="-389" />
+  <C value="-74.826" />
+  <D value="-18071" />
+  <E value="28356" />
+  <Tmin units="K"  value="293.82" />
+  <Tmax units="K"  value="1877.83" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.837" />
+  <B value="1162" />
+  <C value="0.077237" />
+  <D value="-2.6336E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="415.59" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2706E-07" />
+  <B value="0.5848" />
+  <C value="183.92" />
+  <D value="0.068678" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1663" />
+  <B value="9.2848" />
+  <C value="-1.1068" />
+  <D value="-0.00028405" />
+  <E value="-0.0000007408" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="470" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000038784" />
+  <B value="1.117" />
+  <C value="-185.06" />
+  <D value="177130" />
+  <Tmin units="K"  value="415.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090133" />
+  <B value="27.989" />
+  <C value="-3.1772" />
+  <D value="0.00013817" />
+  <E value="-0.0000048752" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1160.7" />
+  <B value="826.4" />
+  <C value="-0.41015" />
+  <D value="0.000072067" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.596" />
+  <B value="3082.6" />
+  <C value="-75.645" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="520.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3456" />
+  <B value="-0.016308" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="415.59" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.935072E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.9853" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0683237" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724328" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179037" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.179037" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2216-34-4" />
+<Smiles name="SMILES"  value="CCCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="94" />
+<CompoundID name="Name"  value="3-ethylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(C2H5)CH2(CH2)2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2430000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5213" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="416.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000277743" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.177515" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407991" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.953E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.3146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.494E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="497400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6838E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.1778" />
+  <B value="-0.0064596" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.3" />
+  <Tmax units="K"  value="158.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.38578" />
+  <B value="0.23273" />
+  <C value="594.3" />
+  <D value="0.25158" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="567.28" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.6653" />
+  <B value="-8269.445" />
+  <C value="-12.32292" />
+  <D value="0.000012256" />
+  <E value="2" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3311E+07" />
+  <B value="1.0505" />
+  <C value="-1.9581" />
+  <D value="2.2955" />
+  <E value="-0.98973" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="594.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29546" />
+  <B value="-3.2521" />
+  <C value="11.386" />
+  <D value="0.0045932" />
+  <E value="-0.0000035582" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137360" />
+  <B value="-689.88" />
+  <C value="13.586" />
+  <D value="-0.00018791" />
+  <E value="5.2355E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30691" />
+  <B value="-394.25" />
+  <C value="-77.102" />
+  <D value="-21616" />
+  <E value="36748" />
+  <Tmin units="K"  value="297.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.279" />
+  <B value="1149.8" />
+  <C value="-0.019903" />
+  <D value="1.7111E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000007497" />
+  <B value="0.48637" />
+  <C value="340.94" />
+  <D value="-2876.9" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038271" />
+  <B value="3.4169" />
+  <C value="-1.6847" />
+  <D value="-0.00052626" />
+  <E value="-0.0000013295" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030963" />
+  <B value="1.1527" />
+  <C value="-150.17" />
+  <D value="156710" />
+  <Tmin units="K"  value="416.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011888" />
+  <B value="12.561" />
+  <C value="-2.9032" />
+  <D value="-0.00075797" />
+  <E value="-0.0000031904" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28905" />
+  <B value="723.1" />
+  <C value="-0.30251" />
+  <D value="0.000037455" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.883" />
+  <B value="3285.8" />
+  <C value="-64.914" />
+  <Tmin units="K"  value="362.76" />
+  <Tmax units="K"  value="521.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3411" />
+  <B value="-0.016316" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.668101E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.5266" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0682157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.730456" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407991" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.177515" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407991" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.177515" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-80-4" />
+<Smiles name="SMILES"  value="CCC(CC)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="96" />
+<CompoundID name="Name"  value="2,2-dimethylheptane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2(CH2)4CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.525" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="405.97" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000152983" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18151" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.845E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.388E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.461E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.79E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="471800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8900000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.672E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.9753" />
+  <B value="-0.0055395" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.06" />
+  <Tmax units="K"  value="160.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.19929" />
+  <B value="0.16944" />
+  <C value="577.8" />
+  <D value="0.19098" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="173.1768" />
+  <B value="-10891.65" />
+  <C value="-23.04354" />
+  <D value="0.0000217483" />
+  <E value="2" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.677584E+07" />
+  <B value="0.420266" />
+  <C value="0.0606766" />
+  <D value="-0.058971" />
+  <E value="-0.0565229" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="577.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188490" />
+  <B value="-126.2" />
+  <C value="10.161" />
+  <D value="0.0065361" />
+  <E value="-0.0000033154" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119340" />
+  <B value="-582.53" />
+  <C value="13.386" />
+  <D value="0.000067675" />
+  <E value="-2.1229E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29926" />
+  <B value="-360.95" />
+  <C value="-70.246" />
+  <D value="-13793" />
+  <E value="20867" />
+  <Tmin units="K"  value="288.35" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.654" />
+  <B value="1250.4" />
+  <C value="0.03445" />
+  <D value="-6.0618E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0205E-07" />
+  <B value="0.4765" />
+  <C value="340.6" />
+  <D value="-3260.3" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.04961" />
+  <B value="4.5364" />
+  <C value="-1.657" />
+  <D value="-0.00038774" />
+  <E value="-0.0000014465" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023582" />
+  <B value="1.1966" />
+  <C value="-148.34" />
+  <D value="144910" />
+  <Tmin units="K"  value="405.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008025" />
+  <B value="40.938" />
+  <C value="-3.4014" />
+  <D value="0.00073554" />
+  <E value="-0.0000058206" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5399.1" />
+  <B value="817.15" />
+  <C value="-0.38647" />
+  <D value="0.000065459" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.532" />
+  <B value="3019.1" />
+  <C value="-70.648" />
+  <Tmin units="K"  value="346.85" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.5711" />
+  <B value="-0.018073" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.686199E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.4327" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0677873" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.715257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18151" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18151" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1071-26-7" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="48" />
+<CompoundID name="Name"  value="3,3,5-trimethylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.564" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="428.83" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000151957" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.285" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.19248" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.886E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10915" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.522E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.588E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.23E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="513420" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.4E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2911E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="7.4787" />
+  <B value="-0.0056657" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66" />
+  <Tmax units="K"  value="165" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.32798" />
+  <B value="0.22465" />
+  <C value="609.6" />
+  <D value="0.2413" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="165.0702" />
+  <B value="-10873.83" />
+  <C value="-21.67781" />
+  <D value="0.0000174271" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.692041E+07" />
+  <B value="-0.369689" />
+  <C value="2.788348" />
+  <D value="-3.430471" />
+  <E value="1.37842" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="275220" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="609.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="181900" />
+  <B value="88.778" />
+  <C value="8.7398" />
+  <D value="0.011239" />
+  <E value="-0.0000078705" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="457.16" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93450" />
+  <B value="-461.09" />
+  <C value="13.294" />
+  <D value="0.00031582" />
+  <E value="-1.0309E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33139" />
+  <B value="-440.19" />
+  <C value="-87.279" />
+  <D value="-20730" />
+  <E value="33410" />
+  <Tmin units="K"  value="304.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8795" />
+  <B value="1294.8" />
+  <C value="-0.60549" />
+  <D value="-4.2086E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="487.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7085E-07" />
+  <B value="0.52829" />
+  <C value="329.98" />
+  <D value="-4470.2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0037809" />
+  <B value="-39.052" />
+  <C value="-1.5072" />
+  <D value="-0.0019367" />
+  <E value="-8.6862E-07" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="550" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042493" />
+  <B value="1.1211" />
+  <C value="-89.298" />
+  <D value="167970" />
+  <Tmin units="K"  value="428.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0079018" />
+  <B value="47.103" />
+  <C value="-3.4097" />
+  <D value="0.00092865" />
+  <E value="-0.0000056403" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24935" />
+  <B value="982.01" />
+  <C value="-0.34771" />
+  <D value="-0.00019639" />
+  <E value="1.4276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.755" />
+  <B value="3365.2" />
+  <C value="-64.25" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="539.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.4461" />
+  <B value="-0.016988" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="487.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615915" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.835398E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.2417" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0742386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.747136" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.19248" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.1951" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.088" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.19248" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7154-80-5" />
+<Smiles name="SMILES"  value="CCC(C)(C)CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="72" />
+<CompoundID name="Name"  value="2,2-dimethyloctane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2(CH2)5CH3" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="602.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5897" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="430.05" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.197405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.428759" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.223E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.523E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.67E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="511000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.7E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.281E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.35" />
+  <B value="2.3419E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27519" />
+  <B value="0.20873" />
+  <C value="602.4" />
+  <D value="0.22241" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.2162" />
+  <B value="-9736.787" />
+  <C value="-15.87938" />
+  <D value="0.0000121145" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2139E+07" />
+  <B value="0.81955" />
+  <C value="-1.4728" />
+  <D value="1.7846" />
+  <E value="-0.74179" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="275220" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="602.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130180" />
+  <B value="214" />
+  <C value="8.9638" />
+  <D value="0.010626" />
+  <E value="-0.0000085091" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="425" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="133300" />
+  <B value="-582.81" />
+  <C value="13.49" />
+  <D value="0.000049115" />
+  <E value="-1.5637E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33556" />
+  <B value="-413.18" />
+  <C value="-91.248" />
+  <D value="-27355" />
+  <E value="45691" />
+  <Tmin units="K"  value="301" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.132" />
+  <B value="1337.2" />
+  <C value="0.10372" />
+  <D value="-1.6576E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6483E-07" />
+  <B value="0.48953" />
+  <C value="292.37" />
+  <D value="276.07" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054905" />
+  <B value="-9.2849" />
+  <C value="-1.513" />
+  <D value="-0.00077582" />
+  <E value="-8.6839E-07" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023992" />
+  <B value="1.186" />
+  <C value="-157.89" />
+  <D value="154490" />
+  <Tmin units="K"  value="430.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081141" />
+  <B value="109.26" />
+  <C value="-3.9929" />
+  <D value="0.0023215" />
+  <E value="-0.0000066762" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7717.8" />
+  <B value="904.09" />
+  <C value="-0.43608" />
+  <D value="0.00007608" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.447" />
+  <B value="3766.1" />
+  <C value="-50.805" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9662" />
+  <B value="-0.013254" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615981" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.338988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.9107" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0749304" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.728014" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.428759" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.197405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.1959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.092" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.428759" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.197405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-87-1" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="85" />
+<CompoundID name="Name"  value="3-methylnonane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)5CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="613.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="440.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000565366" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.464925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.286E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.544E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.88E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="543900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.88E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.1736" />
+  <B value="-0.0042229" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.34" />
+  <Tmax units="K"  value="188.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.19012" />
+  <B value="0.17319" />
+  <C value="613.7" />
+  <D value="0.19349" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.738" />
+  <B value="-8476.8" />
+  <C value="-10.023" />
+  <D value="0.0000053448" />
+  <E value="2" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.354164E+07" />
+  <B value="1.024481" />
+  <C value="-0.0908156" />
+  <D value="-1.228122" />
+  <E value="0.762381" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="622690" />
+  <B value="-20288" />
+  <C value="276.93" />
+  <D value="-1.5699" />
+  <E value="0.0032518" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78506" />
+  <B value="74.892" />
+  <C value="11.023" />
+  <D value="0.0040568" />
+  <E value="-0.0000015927" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="133050" />
+  <B value="-599.42" />
+  <C value="13.53" />
+  <D value="-0.000017353" />
+  <E value="-3.363E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33234" />
+  <B value="-422.27" />
+  <C value="-103.89" />
+  <D value="-20755" />
+  <E value="19060" />
+  <Tmin units="K"  value="306.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.922" />
+  <B value="1267.3" />
+  <C value="0.28159" />
+  <D value="-8.3807E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="440.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.1879E-07" />
+  <B value="0.49638" />
+  <C value="289.26" />
+  <D value="-877.62" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1781" />
+  <B value="10.557" />
+  <C value="-1.078" />
+  <D value="-0.00023148" />
+  <E value="-6.8221E-07" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="490" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000033407" />
+  <B value="1.1338" />
+  <C value="-162.76" />
+  <D value="171650" />
+  <Tmin units="K"  value="440.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01117" />
+  <B value="45.677" />
+  <C value="-3.2566" />
+  <D value="0.00030403" />
+  <E value="-0.0000040378" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6363.2" />
+  <B value="899.08" />
+  <C value="-0.44378" />
+  <D value="0.000077366" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.006" />
+  <B value="3498.3" />
+  <C value="-71.962" />
+  <Tmin units="K"  value="370.15" />
+  <Tmax units="K"  value="545.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7344" />
+  <B value="-0.013957" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="440.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.382832E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.9626" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0754856" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.464925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.464925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="5911-04-6" />
+<Smiles name="SMILES"  value="CCC(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="86" />
+<CompoundID name="Name"  value="2-methylnonane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)6CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="621" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.601" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="440.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="198.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="198.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00248675" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.196826" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.472342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.429E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.5652E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.841E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="538020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.75E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2888E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.0875" />
+  <B value="-0.0039745" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.4" />
+  <Tmax units="K"  value="198.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.2243" />
+  <B value="0.18661" />
+  <C value="621" />
+  <D value="0.23259" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="588.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.13" />
+  <B value="-10462" />
+  <C value="-16.388" />
+  <D value="0.0000099287" />
+  <E value="2" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.023987E+07" />
+  <B value="-0.879246" />
+  <C value="6.371272" />
+  <D value="-9.404583" />
+  <E value="4.418702" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="581370" />
+  <B value="-18844" />
+  <C value="260.35" />
+  <D value="-1.4888" />
+  <E value="0.0031062" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="185" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-52606" />
+  <B value="80.981" />
+  <C value="11.786" />
+  <D value="0.0026831" />
+  <E value="-6.0448E-07" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137030" />
+  <B value="-599.28" />
+  <C value="13.509" />
+  <D value="0.0000018563" />
+  <E value="-1.0781E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.1519" />
+  <B value="949.54" />
+  <C value="-1.2725" />
+  <D value="0.0000012986" />
+  <E value="2" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.2127E-07" />
+  <B value="0.44292" />
+  <C value="352.44" />
+  <D value="-1163.9" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16513" />
+  <B value="15.121" />
+  <C value="-1.1582" />
+  <D value="-0.00011252" />
+  <E value="-0.0000008534" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030641" />
+  <B value="1.1437" />
+  <C value="-171.78" />
+  <D value="168770" />
+  <Tmin units="K"  value="440.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013266" />
+  <B value="8.6972" />
+  <C value="-2.8018" />
+  <D value="-0.0012779" />
+  <E value="-0.0000019818" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12286" />
+  <B value="883.31" />
+  <C value="-0.42859" />
+  <D value="0.000072456" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.901" />
+  <B value="3427.2" />
+  <C value="-74.62" />
+  <Tmin units="K"  value="375.15" />
+  <Tmax units="K"  value="545.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.382" />
+  <B value="-0.011976" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.557272E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="252.7017" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0765141" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.73091" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.472342" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.196826" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.472342" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.196826" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="871-83-0" />
+<Smiles name="SMILES"  value="CC(C)CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="87" />
+<CompoundID name="Name"  value="4-methylnonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(CH3)(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="613.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000108068" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195426" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.465073" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.265E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.547E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.89E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="541900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.52E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2988" />
+  <B value="-0.0046485" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.78" />
+  <Tmax units="K"  value="174.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.046753" />
+  <B value="0.085687" />
+  <C value="613.7" />
+  <D value="0.13909" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.6866" />
+  <B value="-10632.15" />
+  <C value="-18.17547" />
+  <D value="0.0000137486" />
+  <E value="2" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2873E+07" />
+  <B value="0.39496" />
+  <C value="-0.054115" />
+  <D value="0.081779" />
+  <E value="-0.040701" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1327700" />
+  <B value="-47867" />
+  <C value="675.59" />
+  <D value="-4.0824" />
+  <E value="0.0090781" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41953" />
+  <B value="56.5" />
+  <C value="11.484" />
+  <D value="0.0029861" />
+  <E value="-0.0000006055" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130820" />
+  <B value="-589.61" />
+  <C value="13.519" />
+  <D value="-0.0000013811" />
+  <E value="-1.0182E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7174" />
+  <B value="1148.5" />
+  <C value="-0.42278" />
+  <D value="0.000000818" />
+  <E value="2" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="438.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0899E-07" />
+  <B value="0.5228" />
+  <C value="260.59" />
+  <D value="-971.93" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16198" />
+  <B value="12.531" />
+  <C value="-1.1439" />
+  <D value="-0.00019006" />
+  <E value="-7.9079E-07" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000039332" />
+  <B value="1.1131" />
+  <C value="-152.11" />
+  <D value="174490" />
+  <Tmin units="K"  value="438.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0091915" />
+  <B value="41.648" />
+  <C value="-3.2196" />
+  <D value="0.0001215" />
+  <E value="-0.0000043751" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3419.1" />
+  <B value="914.32" />
+  <C value="-0.46014" />
+  <D value="0.000082394" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.928" />
+  <B value="3434.7" />
+  <C value="-73.509" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="541.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4192" />
+  <B value="-0.015045" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="438.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.342286E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.7862" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0754875" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736664" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.465073" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.465073" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195426" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="17301-94-9" />
+<Smiles name="SMILES"  value="CCCC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="88" />
+<CompoundID name="Name"  value="5-methylnonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="186" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000438465" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195298" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.456177" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.318E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.5472E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.06E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="536500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.66E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2082" />
+  <B value="-0.0043126" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.18" />
+  <Tmax units="K"  value="185.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41463" />
+  <B value="0.2529" />
+  <C value="610.01" />
+  <D value="0.28051" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="215.6392" />
+  <B value="-13712.31" />
+  <C value="-29.15861" />
+  <D value="0.0000236309" />
+  <E value="2" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.5588E+07" />
+  <B value="0.029762" />
+  <C value="1.6061" />
+  <D value="-2.0417" />
+  <E value="0.80324" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="587.66" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="759980" />
+  <B value="-25254" />
+  <C value="344.7" />
+  <D value="-1.9725" />
+  <E value="0.0041285" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="230160" />
+  <B value="-61.977" />
+  <C value="9.1603" />
+  <D value="0.0096645" />
+  <E value="-0.0000061376" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="550" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131700" />
+  <B value="-594.98" />
+  <C value="13.529" />
+  <D value="-0.000014234" />
+  <E value="-5.0987E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.838" />
+  <B value="1303.8" />
+  <C value="0.41828" />
+  <D value="-8.7942E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="438.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7631E-07" />
+  <B value="0.50736" />
+  <C value="283.05" />
+  <D value="-1279.5" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.183" />
+  <B value="10.49" />
+  <C value="-1.0698" />
+  <D value="-0.00021616" />
+  <E value="-6.8913E-07" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00003614" />
+  <B value="1.1239" />
+  <C value="-159.13" />
+  <D value="172680" />
+  <Tmin units="K"  value="438.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015552" />
+  <B value="22.28" />
+  <C value="-2.8961" />
+  <D value="-0.00075059" />
+  <E value="-0.0000023626" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="587.66" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4321" />
+  <B value="909.02" />
+  <C value="-0.45451" />
+  <D value="0.000080712" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.621" />
+  <B value="3256.6" />
+  <C value="-80.185" />
+  <Tmin units="K"  value="367.15" />
+  <Tmax units="K"  value="542.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6594" />
+  <B value="-0.014236" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="438.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.342286E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="263.0172" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0758946" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736351" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.456177" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195298" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.456177" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195298" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-85-9" />
+<Smiles name="SMILES"  value="CCCCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="217" />
+<CompoundID name="Name"  value="Cis-2-hexene" />
+<StructureFormula name="Structure"  value="CH3CHCH(CH2)2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="511.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="342.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.03" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000232" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1234" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.287374" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.76E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.015E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06474" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.856E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.025E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8857530" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90348" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.728E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.357" />
+  <B value="-0.010385" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="52.81" />
+  <Tmax units="K"  value="132.03" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77464" />
+  <B value="0.2672" />
+  <C value="511.4" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="511.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.3995" />
+  <B value="-6791.221" />
+  <C value="-12.84602" />
+  <D value="0.0000165576" />
+  <E value="2" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="511.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9E+07" />
+  <B value="1.281" />
+  <C value="-2.4971" />
+  <D value="2.499" />
+  <E value="-0.86824" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="491.43" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9903.7" />
+  <B value="833.78" />
+  <C value="12.723" />
+  <D value="-0.19752" />
+  <E value="0.00078189" />
+  <Tmin units="K"  value="11.37" />
+  <Tmax units="K"  value="121.04" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135610" />
+  <B value="570.7" />
+  <C value="1.6392" />
+  <D value="0.033591" />
+  <E value="-0.000032605" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88576" />
+  <B value="-789.82" />
+  <C value="13.286" />
+  <D value="-0.00034537" />
+  <E value="1.0091E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20114" />
+  <B value="-212.36" />
+  <C value="-29.612" />
+  <D value="-2416.2" />
+  <E value="3113.2" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.864" />
+  <B value="787.8" />
+  <C value="0.0025561" />
+  <D value="-7.6676E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6061E-08" />
+  <B value="0.91362" />
+  <C value="-8.4415" />
+  <D value="1515.2" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038625" />
+  <B value="3.4165" />
+  <C value="-1.4421" />
+  <D value="-0.00078927" />
+  <E value="-0.0000017176" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000053674" />
+  <B value="1.0887" />
+  <C value="-86.934" />
+  <D value="155330" />
+  <Tmin units="K"  value="342.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022589" />
+  <B value="9.4677" />
+  <C value="-2.677" />
+  <D value="-0.0011032" />
+  <E value="-0.0000022065" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="491.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4117" />
+  <B value="473.05" />
+  <C value="-0.20948" />
+  <D value="0.000030849" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.749" />
+  <B value="2696.8" />
+  <C value="-49.605" />
+  <Tmin units="K"  value="310.54" />
+  <Tmax units="K"  value="451.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3865" />
+  <B value="-0.016275" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.713722E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="247.3648" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.14884" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.046217" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.691499" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.287374" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1234" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2677" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.643" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003966" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.43397" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.287374" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1234" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7688-21-3" />
+<Smiles name="SMILES"  value="C/C=C\CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="218" />
+<CompoundID name="Name"  value="Trans-2-hexene" />
+<StructureFormula name="Structure"  value="CH3CHCH(CH2)2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="509.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3168000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="140.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="140.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00179" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.288635" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.616E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06474" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.381E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.675E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8255030" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9628" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72648E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.09" />
+  <B value="-0.0094736" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="56.07" />
+  <Tmax units="K"  value="140.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7854" />
+  <B value="0.271" />
+  <C value="509.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="509.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.7613" />
+  <B value="-6858.249" />
+  <C value="-12.46469" />
+  <D value="0.0000134849" />
+  <E value="2" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="509.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.402196E+07" />
+  <B value="0.563356" />
+  <C value="-0.497314" />
+  <D value="0.306975" />
+  <E value="0.0161359" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="490.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2070" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="140.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145330" />
+  <B value="591.61" />
+  <C value="0.45085" />
+  <D value="0.040176" />
+  <E value="-0.000043449" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96839" />
+  <B value="-758.81" />
+  <C value="13.112" />
+  <D value="-0.00018911" />
+  <E value="4.7057E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21635" />
+  <B value="-262.77" />
+  <C value="-18.97" />
+  <D value="-7202.8" />
+  <E value="15014" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.296" />
+  <B value="798.85" />
+  <C value="0.074688" />
+  <D value="-2.5765E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5985E-08" />
+  <B value="0.91455" />
+  <C value="-9.2013" />
+  <D value="1687.6" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.091076" />
+  <B value="-0.14352" />
+  <C value="-1.1963" />
+  <D value="-0.00093801" />
+  <E value="-0.0000007123" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000094853" />
+  <B value="1.0175" />
+  <C value="2.8366" />
+  <D value="154410" />
+  <Tmin units="K"  value="341.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024183" />
+  <B value="-0.32166" />
+  <C value="-2.4994" />
+  <D value="-0.0018373" />
+  <E value="-0.0000012135" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="490.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="19670" />
+  <B value="436.93" />
+  <C value="-0.1814" />
+  <D value="0.000023027" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="2752.4" />
+  <C value="-45.95" />
+  <Tmin units="K"  value="308.15" />
+  <Tmax units="K"  value="451.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6015" />
+  <B value="-0.015521" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.651318E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.5968" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.32659" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0459435" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682799" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.288635" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.125" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2677" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.643" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.004891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.67446" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.288635" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.125" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="4050-45-7" />
+<Smiles name="SMILES"  value="C/C=C/CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="250" />
+<CompoundID name="Name"  value="1-octene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)5CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.468" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00298" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.215" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.457E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08523" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.181E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.194E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.057E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="463700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.531E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0842" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.961E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1732" />
+  <B value="-0.0061137" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.58" />
+  <Tmax units="K"  value="171.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44684" />
+  <B value="0.23463" />
+  <C value="567" />
+  <D value="0.24846" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="177.7155" />
+  <B value="-11137.29" />
+  <C value="-23.58923" />
+  <D value="0.000019592" />
+  <E value="2" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7062E+07" />
+  <B value="0.3453" />
+  <C value="0.41628" />
+  <D value="-0.36125" />
+  <E value="-0.059539" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18727" />
+  <B value="1711.3" />
+  <C value="-4.6191" />
+  <D value="-0.021907" />
+  <E value="0.00013331" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="171.48" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-24253" />
+  <B value="87.834" />
+  <C value="11.35" />
+  <D value="0.0032002" />
+  <E value="-0.0000012467" />
+  <Tmin units="K"  value="171" />
+  <Tmax units="K"  value="454" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106430" />
+  <B value="-593.77" />
+  <C value="13.154" />
+  <D value="0.00006689" />
+  <E value="-2.6274E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26737" />
+  <B value="-340.49" />
+  <C value="-61.032" />
+  <D value="-4988.1" />
+  <E value="1129.3" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1983.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.8042" />
+  <B value="945.32" />
+  <C value="-0.93827" />
+  <D value="0.0000032767" />
+  <E value="2" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="453.52" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000047664" />
+  <B value="0.084052" />
+  <C value="3514.6" />
+  <D value="21127" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.035226" />
+  <B value="40.754" />
+  <C value="-2.2668" />
+  <D value="0.00092297" />
+  <E value="-0.0000060301" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000014109" />
+  <B value="1.354" />
+  <C value="610.51" />
+  <D value="-30915" />
+  <Tmin units="K"  value="394.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.14483" />
+  <B value="-2.7807" />
+  <C value="-1.5504" />
+  <D value="-0.00091294" />
+  <E value="4.2416E-07" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="72710" />
+  <B value="110.08" />
+  <C value="1.2552" />
+  <D value="-0.0017373" />
+  <E value="6.9559E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.5046" />
+  <B value="-1050" />
+  <C value="-6.3" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="3032.4" />
+  <C value="-64.529" />
+  <Tmin units="K"  value="340.25" />
+  <Tmax units="K"  value="504.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9394" />
+  <B value="-0.012055" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="453.52" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465907" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.097994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.8257" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.37034" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0596194" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720816" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.393" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15785" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.6185" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.724" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002307" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.78497" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.393" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15540" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15785" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-66-0" />
+<Smiles name="SMILES"  value="C=CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="259" />
+<CompoundID name="Name"  value="1-nonene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)6CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.526" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="420.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="191.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="191.91" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0204" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.242" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.411" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.873E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09546" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.316E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.035E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.123E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="504100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.9359E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1406" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0944" />
+  <B value="-0.0047703" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.76" />
+  <Tmax units="K"  value="191.91" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18062" />
+  <B value="0.15802" />
+  <C value="594" />
+  <D value="0.18969" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.37" />
+  <B value="-9418.7" />
+  <C value="-14.583" />
+  <D value="0.0000094863" />
+  <E value="2" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0729E+07" />
+  <B value="-0.72017" />
+  <C value="3.2276" />
+  <D value="-3.6347" />
+  <E value="1.4659" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16015" />
+  <B value="1468.8" />
+  <C value="2.0005" />
+  <D value="-0.064925" />
+  <E value="0.00021824" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="191.92" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58309" />
+  <B value="119.15" />
+  <C value="10.75" />
+  <D value="0.0042025" />
+  <E value="-0.0000015805" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="475" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122350" />
+  <B value="-622.4" />
+  <C value="13.352" />
+  <D value="-0.000015236" />
+  <E value="-2.3169E-10" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21322" />
+  <B value="-235.69" />
+  <C value="-117.36" />
+  <D value="37005" />
+  <E value="-118360" />
+  <Tmin units="K"  value="297" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.296" />
+  <B value="1057.3" />
+  <C value="-0.12431" />
+  <D value="2.0281E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="420.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2319E-08" />
+  <B value="0.81707" />
+  <C value="155.31" />
+  <D value="-12572" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.024602" />
+  <B value="-118.29" />
+  <C value="-0.40946" />
+  <D value="-0.0056136" />
+  <E value="0.0000021909" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019761" />
+  <B value="1.2983" />
+  <C value="563.96" />
+  <D value="24829" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.13785" />
+  <B value="-6.5227" />
+  <C value="-1.5557" />
+  <D value="-0.00098337" />
+  <E value="4.6887E-07" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="82837" />
+  <B value="113.94" />
+  <C value="1.4559" />
+  <D value="-0.0020124" />
+  <E value="0.000000806" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.098" />
+  <B value="3433.4" />
+  <C value="-61.353" />
+  <Tmin units="K"  value="357.35" />
+  <Tmax units="K"  value="529.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6813" />
+  <B value="-0.01221" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="420.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.528415" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.027215E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.2865" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34446" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0667997" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.734403" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.411" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.2929" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.264" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.80187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.411" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-11-8" />
+<Smiles name="SMILES"  value="C=CCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="261" />
+<CompoundID name="Name"  value="1-undecene" />
+<StructureFormula name="Structure"  value="CH3(CH2)8CHCH2" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2044000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.657" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="465.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.99" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.99" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0473" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.292" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.2065" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.522466" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.485E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1159" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.586E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.449E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.283E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="582180" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.699E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3343" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.7878E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.5724" />
+  <B value="-0.0032733" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.6" />
+  <Tmax units="K"  value="223.99" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.38001" />
+  <B value="0.24991" />
+  <C value="637.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="637.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.64799" />
+  <B value="-9306.494" />
+  <C value="-10.26144" />
+  <D value="4.149832E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="637.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.3696E+07" />
+  <B value="-6.3933" />
+  <C value="18.084" />
+  <D value="-19.033" />
+  <E value="7.4719" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="616.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-40578" />
+  <B value="-2250300" />
+  <C value="33508" />
+  <D value="-165.17" />
+  <E value="0.26994" />
+  <Tmin units="K"  value="217.3" />
+  <Tmax units="K"  value="226.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99868" />
+  <B value="144.48" />
+  <C value="10.69" />
+  <D value="0.0042614" />
+  <E value="-0.0000010791" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="591.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="138670" />
+  <B value="-549.63" />
+  <C value="13.4" />
+  <D value="0.00014861" />
+  <E value="-5.2026E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.46674" />
+  <B value="-604.66" />
+  <C value="-91.632" />
+  <D value="-141600" />
+  <E value="329750" />
+  <Tmin units="K"  value="318.9" />
+  <Tmax units="K"  value="1773" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-49.01257" />
+  <B value="2643.166" />
+  <C value="5.957949" />
+  <D value="-8.451873E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0406E-08" />
+  <B value="0.85093" />
+  <C value="112.38" />
+  <D value="-8900.1" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067847" />
+  <B value="-250.41" />
+  <C value="0.40201" />
+  <D value="-0.0082828" />
+  <E value="0.0000014058" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="465.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018335" />
+  <B value="1.3031" />
+  <C value="709.58" />
+  <D value="-2804.6" />
+  <Tmin units="K"  value="465.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077397" />
+  <B value="78.944" />
+  <C value="-3.6355" />
+  <D value="0.0014924" />
+  <E value="-0.0000057786" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="616.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7374.7" />
+  <B value="1015.1" />
+  <C value="-0.57607" />
+  <D value="0.00012723" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="3677.5" />
+  <C value="-79.724" />
+  <Tmin units="K"  value="383.57" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5498" />
+  <B value="-0.01112" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.660788" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.440253E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.6865" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="225.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.793" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.080937" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.754663" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.522466" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.2065" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6417" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.344" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.6965" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.522466" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2065" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="821-95-4" />
+<Smiles name="SMILES"  value="C=CCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="221" />
+<CompoundID name="Name"  value="2-methyl-1-pentene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2CH2CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.359" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="335.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="137.43" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="137.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000805463" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.124649" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.261138" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.704E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.89E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06475" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.22581E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.2969E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7029120" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94792" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72209E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.183" />
+  <B value="-0.009706" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="54.97" />
+  <Tmax units="K"  value="137.42" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13372" />
+  <B value="0.11276" />
+  <C value="507" />
+  <D value="0.1472" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.161" />
+  <B value="-6171.1" />
+  <C value="-9.6632" />
+  <D value="0.0000085639" />
+  <E value="2" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.397303E+07" />
+  <B value="1.23932" />
+  <C value="-1.433928" />
+  <D value="0.797889" />
+  <E value="-0.142823" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="507" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173630" />
+  <B value="-41311" />
+  <C value="386.78" />
+  <D value="-1.1602" />
+  <E value="0.0012063" />
+  <Tmin units="K"  value="177.45" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92049" />
+  <B value="-683.66" />
+  <C value="13.009" />
+  <D value="-0.000089454" />
+  <E value="1.0969E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20427" />
+  <B value="-211.93" />
+  <C value="-28.323" />
+  <D value="-2202.1" />
+  <E value="2802.7" />
+  <Tmin units="K"  value="253.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.406" />
+  <B value="797.71" />
+  <C value="0.099228" />
+  <D value="-5.3373E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3076E-07" />
+  <B value="0.52447" />
+  <C value="272.22" />
+  <D value="-3046.8" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.026056" />
+  <B value="4.3913" />
+  <C value="-1.6749" />
+  <D value="-0.00048682" />
+  <E value="-0.0000023385" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074858" />
+  <B value="1.0485" />
+  <C value="-32.169" />
+  <D value="140340" />
+  <Tmin units="K"  value="335.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010227" />
+  <B value="29.367" />
+  <C value="-3.1888" />
+  <D value="0.00017808" />
+  <E value="-0.0000061262" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12977" />
+  <B value="480.34" />
+  <C value="-0.23191" />
+  <D value="0.000039315" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.723" />
+  <B value="2655.1" />
+  <C value="-46.569" />
+  <Tmin units="K"  value="305.25" />
+  <Tmax units="K"  value="446.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.556" />
+  <B value="-0.015605" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34716" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.647237E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.9221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45874" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0451328" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.686845" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.261138" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.124649" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2689" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.64" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00519" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95865" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.261138" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124649" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="763-29-1" />
+<Smiles name="SMILES"  value="C=C(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="227" />
+<CompoundID name="Name"  value="4-methyl-cis-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.346" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="329.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="138.72" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="138.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00215772" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126648" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.244178" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.621E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.18E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06473" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.03335E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.69856E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="373338" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7363840" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72502E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.041" />
+  <B value="-0.0096786" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.32" />
+  <Tmax units="K"  value="138.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77793" />
+  <B value="0.27017" />
+  <C value="499" />
+  <D value="0.2861" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.573" />
+  <B value="-5993.9" />
+  <C value="-9.4501" />
+  <D value="0.0000085686" />
+  <E value="2" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="499" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4227E+07" />
+  <B value="1.5628" />
+  <C value="-2.6171" />
+  <D value="2.4298" />
+  <E value="-0.92758" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="499" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-59803" />
+  <B value="-16.203" />
+  <C value="11.773" />
+  <D value="0.0034333" />
+  <E value="-0.0000037581" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101130" />
+  <B value="-861.95" />
+  <C value="13.463" />
+  <D value="-0.00060529" />
+  <E value="2.0212E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19352" />
+  <B value="-193.4" />
+  <C value="-26.471" />
+  <D value="-1593.9" />
+  <E value="1901.2" />
+  <Tmin units="K"  value="249.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.752" />
+  <B value="820.42" />
+  <C value="0.14056" />
+  <D value="-7.3435E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3021E-07" />
+  <B value="0.52941" />
+  <C value="268.94" />
+  <D value="16.597" />
+  <Tmin units="K"  value="329.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050868" />
+  <B value="4.0553" />
+  <C value="-1.554" />
+  <D value="-0.00045968" />
+  <E value="-0.000001981" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000052516" />
+  <B value="1.0978" />
+  <C value="-60.883" />
+  <D value="128130" />
+  <Tmin units="K"  value="329.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011598" />
+  <B value="20.102" />
+  <C value="-3.0908" />
+  <D value="-0.00038666" />
+  <E value="-0.0000050432" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16890" />
+  <B value="454.86" />
+  <C value="-0.20446" />
+  <D value="0.000032855" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.651" />
+  <B value="2585.2" />
+  <C value="-46.215" />
+  <Tmin units="K"  value="299.87" />
+  <Tmax units="K"  value="442.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4146" />
+  <B value="-0.016461" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347048" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.33239E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.4841" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450895" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.674097" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.244178" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126648" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2669" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.639" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.244178" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126648" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="691-38-3" />
+<Smiles name="SMILES"  value="C/C=C\C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="228" />
+<CompoundID name="Name"  value="4-methyl-trans-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="501" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.346" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.76" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000344783" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126739" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.255237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.766E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.63E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06473" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.43501E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.43497E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7154640" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.7205E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.074" />
+  <B value="-0.0099849" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="52.94" />
+  <Tmax units="K"  value="132.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77321" />
+  <B value="0.26966" />
+  <C value="501" />
+  <D value="0.28578" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.691" />
+  <B value="-5972.8" />
+  <C value="-9.1408" />
+  <D value="0.0000081285" />
+  <E value="2" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3985E+07" />
+  <B value="1.4966" />
+  <C value="-2.4784" />
+  <D value="2.2857" />
+  <E value="-0.85991" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="501" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="22279" />
+  <B value="6.5061" />
+  <C value="10.859" />
+  <D value="0.0058182" />
+  <E value="-0.000006387" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95377" />
+  <B value="-622.83" />
+  <C value="12.814" />
+  <D value="0.000074545" />
+  <E value="-3.6318E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19736" />
+  <B value="-224.61" />
+  <C value="-21.903" />
+  <D value="488.25" />
+  <E value="-2649.6" />
+  <Tmin units="K"  value="250.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.038" />
+  <B value="805.55" />
+  <C value="0.01464" />
+  <D value="-7.2359E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.4971E-07" />
+  <B value="0.50587" />
+  <C value="292.11" />
+  <D value="780.77" />
+  <Tmin units="K"  value="331.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.02241" />
+  <B value="4.5423" />
+  <C value="-1.7038" />
+  <D value="-0.00048445" />
+  <E value="-0.0000024834" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062348" />
+  <B value="1.0772" />
+  <C value="-17.479" />
+  <D value="116240" />
+  <Tmin units="K"  value="331.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008865" />
+  <B value="28.019" />
+  <C value="-3.2795" />
+  <D value="0.00029139" />
+  <E value="-0.0000066732" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23417" />
+  <B value="462.06" />
+  <C value="-0.22421" />
+  <D value="0.000039309" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.694" />
+  <B value="2614" />
+  <C value="-46.685" />
+  <Tmin units="K"  value="300.98" />
+  <Tmax units="K"  value="442.79" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1984" />
+  <B value="-0.017331" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347048" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.389352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.9625" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450719" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.673532" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.255237" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126739" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2669" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.639" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000704" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.255237" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126739" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="674-76-0" />
+<Smiles name="SMILES"  value="C/C=C/C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="270" />
+<CompoundID name="Name"  value="Cyclohexene" />
+<StructureFormula name="Structure"  value="-CH2CHCHCH2CH2CH2-" />
+<Family name="Family"  value="13" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="560.42" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.291" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.103772" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="82.1436" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101877" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.212302" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.157E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.83E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05672" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.99E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4520000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.077E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="310750" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3290000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.815753" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.532E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.172" />
+  <B value="-0.0093983" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.87" />
+  <Tmax units="K"  value="169.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.807" />
+  <B value="0.25253" />
+  <C value="560.42" />
+  <D value="0.26738" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.052" />
+  <B value="-6388.7" />
+  <C value="-9.1035" />
+  <D value="0.0000071317" />
+  <E value="2" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.794402E+07" />
+  <B value="1.587579" />
+  <C value="-2.225474" />
+  <D value="1.109627" />
+  <E value="0.041589" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-106910" />
+  <B value="3261.1" />
+  <C value="-17.561" />
+  <D value="0.022428" />
+  <E value="0.000070624" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="169.66" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97738" />
+  <B value="2.3363" />
+  <C value="7.7626" />
+  <D value="0.013772" />
+  <E value="-0.000011653" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="356.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48919" />
+  <B value="-644.33" />
+  <C value="13.16" />
+  <D value="-0.0002758" />
+  <E value="9.0717E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17779" />
+  <B value="-223.3" />
+  <C value="-26.025" />
+  <D value="400.34" />
+  <E value="-7027.1" />
+  <Tmin units="K"  value="280.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.901" />
+  <B value="1159.3" />
+  <C value="0.11228" />
+  <D value="-1.9651E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013322" />
+  <B value="0.45371" />
+  <C value="444.45" />
+  <D value="117.38" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11174" />
+  <B value="816.81" />
+  <C value="-14.373" />
+  <D value="0.055987" />
+  <E value="-0.00010104" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000094336" />
+  <B value="1.0783" />
+  <C value="568.3" />
+  <D value="34471" />
+  <Tmin units="K"  value="356.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011245" />
+  <B value="31.113" />
+  <C value="-2.988" />
+  <D value="0.00029997" />
+  <E value="-0.0000055654" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-29684" />
+  <B value="538" />
+  <C value="-0.28796" />
+  <D value="0.000056637" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="2943.1" />
+  <C value="-42.47" />
+  <Tmin units="K"  value="336.35" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1149" />
+  <B value="-0.014108" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.302527" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.898296E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="337.1902" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0407571" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.816732" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.212302" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101877" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8143" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.027" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.212302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101877" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-83-8" />
+<Smiles name="SMILES"  value="C1=CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="108" />
+<CompoundID name="Name"  value="1,1-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2C(CH3)2CH2CH2CH2-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="547" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="203.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="203.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.04909" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.130925" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.272354" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.43E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.07E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3828E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.9037E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1080000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99405" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2752E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.747" />
+  <B value="-0.0058701" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="81.34" />
+  <Tmax units="K"  value="203.36" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77031" />
+  <B value="0.27731" />
+  <C value="547" />
+  <D value="0.30161" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.69439" />
+  <B value="-6444.768" />
+  <C value="-8.840923" />
+  <D value="5.777915E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.4753E+07" />
+  <B value="1.835" />
+  <C value="-2.4221" />
+  <D value="1.0097" />
+  <E value="0.083052" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="547" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63403" />
+  <B value="-76.912" />
+  <C value="11.112" />
+  <D value="0.0033685" />
+  <E value="-0.0000013786" />
+  <Tmin units="K"  value="213.87" />
+  <Tmax units="K"  value="361" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84040" />
+  <B value="-831.97" />
+  <C value="13.78" />
+  <D value="-0.00060484" />
+  <E value="0.0000001825" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22139" />
+  <B value="-197.51" />
+  <C value="-37.472" />
+  <D value="-7234" />
+  <E value="10587" />
+  <Tmin units="K"  value="273.5" />
+  <Tmax units="K"  value="1914.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8132" />
+  <B value="901.76" />
+  <C value="-0.51373" />
+  <D value="0.0000011607" />
+  <E value="2" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000055348" />
+  <B value="0.28035" />
+  <C value="888.45" />
+  <D value="60.9" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012548" />
+  <B value="-26.729" />
+  <C value="-1.3811" />
+  <D value="-0.0017046" />
+  <E value="-8.8213E-07" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0025566" />
+  <B value="0.60638" />
+  <C value="165.73" />
+  <D value="477660" />
+  <Tmin units="K"  value="361" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074471" />
+  <B value="112.42" />
+  <C value="-4.128" />
+  <D value="0.0036419" />
+  <E value="-0.0000099747" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40808" />
+  <B value="693.04" />
+  <C value="-0.36013" />
+  <D value="0.000068107" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.924" />
+  <B value="3024.7" />
+  <C value="-39.21" />
+  <Tmin units="K"  value="329.96" />
+  <Tmax units="K"  value="474.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5541" />
+  <B value="-0.013334" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.304016E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.4925" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.87279" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500314" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.759292" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.272354" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130925" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7193" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.856" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.013551" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.272354" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130925" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1638-26-2" />
+<Smiles name="SMILES"  value="C1(C)(C)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="109" />
+<CompoundID name="Name"  value="Cis-1,2-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)3-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445050" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.68" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="24.1041" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.127822" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2692" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.617E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.29453E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.58148E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366142" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1657280" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.28203E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.765" />
+  <B value="-0.0054494" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87.7" />
+  <Tmax units="K"  value="219.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72465" />
+  <B value="0.26829" />
+  <C value="565.15" />
+  <D value="0.28378" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.755" />
+  <B value="-6920" />
+  <C value="-10.09" />
+  <D value="0.0000077797" />
+  <E value="2" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8904E+07" />
+  <B value="1.2615" />
+  <C value="-1.6517" />
+  <D value="1.1747" />
+  <E value="-0.3566" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16020" />
+  <B value="3224.8" />
+  <C value="-26.696" />
+  <D value="0.09892" />
+  <E value="-0.00012985" />
+  <Tmin units="K"  value="146.85" />
+  <Tmax units="K"  value="213.09" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91966" />
+  <B value="30.661" />
+  <C value="9.7483" />
+  <D value="0.0064492" />
+  <E value="-0.0000032985" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="372.68" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85421" />
+  <B value="-827.36" />
+  <C value="13.75" />
+  <D value="-0.00058187" />
+  <E value="1.7604E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19751" />
+  <B value="-161.53" />
+  <C value="-51.518" />
+  <D value="-2496.4" />
+  <E value="-2528.2" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-30.744" />
+  <B value="1578.9" />
+  <C value="3.2397" />
+  <D value="-0.0000069313" />
+  <E value="2" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="380.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0794E-07" />
+  <B value="0.561" />
+  <C value="243.58" />
+  <D value="7280.5" />
+  <Tmin units="K"  value="372.68" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.014002" />
+  <B value="-51.607" />
+  <C value="-1.1286" />
+  <D value="-0.0024368" />
+  <E value="4.2617E-08" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="372.68" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.011269" />
+  <B value="0.40836" />
+  <C value="151.71" />
+  <D value="760020" />
+  <Tmin units="K"  value="372.68" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12665" />
+  <B value="-13.427" />
+  <C value="-1.5337" />
+  <D value="-0.0012368" />
+  <E value="5.8475E-07" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-35696" />
+  <B value="676.86" />
+  <C value="-0.34653" />
+  <D value="0.000064464" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.883" />
+  <B value="3064.4" />
+  <C value="-45.216" />
+  <Tmin units="K"  value="344.26" />
+  <Tmax units="K"  value="492.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0294" />
+  <B value="-0.011695" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="380.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.418237E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="335.557" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0499538" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.777085" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2692" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.127822" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006564" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2692" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.127822" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1192-18-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])([C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="110" />
+<CompoundID name="Name"  value="Trans-1,2-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)3-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445050" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="155.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="155.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00329595" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.131474" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2692" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.607E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.36566E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.84928E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366811" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7167190" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.27609E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.201" />
+  <B value="-0.0080527" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="62.23" />
+  <Tmax units="K"  value="155.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77149" />
+  <B value="0.27784" />
+  <C value="553.15" />
+  <D value="0.30964" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.97" />
+  <B value="-6815.6" />
+  <C value="-10.323" />
+  <D value="0.000008493" />
+  <E value="2" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="553.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4143E+07" />
+  <B value="0.72069" />
+  <C value="0.072069" />
+  <D value="-0.93971" />
+  <E value="0.57146" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="553.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-27570" />
+  <B value="-6.4733" />
+  <C value="11.325" />
+  <D value="0.0043522" />
+  <E value="-0.0000035776" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86316" />
+  <B value="-831.39" />
+  <C value="13.757" />
+  <D value="-0.0005975" />
+  <E value="1.8263E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19751" />
+  <B value="-158.14" />
+  <C value="-48.305" />
+  <D value="-2091.1" />
+  <E value="-2117" />
+  <Tmin units="K"  value="276.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.501" />
+  <B value="979.94" />
+  <C value="-0.073247" />
+  <D value="2.6464E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000015301" />
+  <B value="0.42849" />
+  <C value="479.07" />
+  <D value="3.9541" />
+  <Tmin units="K"  value="365.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.028286" />
+  <B value="5.044" />
+  <C value="-1.6594" />
+  <D value="-0.00043322" />
+  <E value="-0.000001941" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0087025" />
+  <B value="0.4463" />
+  <C value="190.1" />
+  <D value="689820" />
+  <Tmin units="K"  value="365.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013661" />
+  <B value="20.324" />
+  <C value="-2.8967" />
+  <D value="-0.0007348" />
+  <E value="-0.0000035142" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-34423" />
+  <B value="673.5" />
+  <C value="-0.34508" />
+  <D value="0.000064499" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.95" />
+  <B value="3051.5" />
+  <C value="-41.265" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="490.38" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5731" />
+  <B value="-0.016451" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.388162E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.0901" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.27" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500017" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.75615" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2692" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.131474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009015" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2692" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.131474" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="822-50-4" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])([C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="111" />
+<CompoundID name="Name"  value="Cis-1,3-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2CH(CH3)CH2CH(CH3)CH2-" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="551" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3633" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.277" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="364.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000172698" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13191" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.633E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3585E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.9204E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7397000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2771E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.282" />
+  <B value="-0.0089936" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.78" />
+  <Tmax units="K"  value="139.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77224" />
+  <B value="0.27858" />
+  <C value="551" />
+  <D value="0.31293" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.262" />
+  <B value="-5561.3" />
+  <C value="-5.5932" />
+  <D value="0.0000039124" />
+  <E value="2" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.964754E+07" />
+  <B value="1.992198" />
+  <C value="-3.906039" />
+  <D value="3.442342" />
+  <E value="-1.064932" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="551" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65786" />
+  <B value="-81.345" />
+  <C value="11.138" />
+  <D value="0.0032931" />
+  <E value="-0.0000013405" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86318" />
+  <B value="-831.43" />
+  <C value="13.758" />
+  <D value="-0.00059782" />
+  <E value="1.8276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21788" />
+  <B value="-188.03" />
+  <C value="-39.482" />
+  <D value="-9836.4" />
+  <E value="17510" />
+  <Tmin units="K"  value="275.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.311" />
+  <B value="1000.6" />
+  <C value="0.063555" />
+  <D value="-2.0388E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8359E-07" />
+  <B value="0.57388" />
+  <C value="271.6" />
+  <D value="-5017.7" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.041732" />
+  <B value="3.5995" />
+  <C value="-1.581" />
+  <D value="-0.00048911" />
+  <E value="-0.0000016476" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0021721" />
+  <B value="0.62882" />
+  <C value="203.61" />
+  <D value="446440" />
+  <Tmin units="K"  value="363.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095794" />
+  <B value="29.018" />
+  <C value="-3.1051" />
+  <D value="-0.000049483" />
+  <E value="-0.00000529" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20969" />
+  <B value="503.34" />
+  <C value="0.22474" />
+  <D value="-0.00062957" />
+  <E value="2.7945E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.065" />
+  <B value="3078.8" />
+  <C value="-41.512" />
+  <Tmin units="K"  value="332.1" />
+  <Tmax units="K"  value="486.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0328" />
+  <B value="-0.018355" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.213806E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="353.9908" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.277" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0501818" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.750406" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.276" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13191" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001337" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.276" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13191" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2532-58-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(C[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="112" />
+<CompoundID name="Name"  value="Trans-1,3-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2CH(CH3)CH2CH(CH3)CH2-" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3633" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000437759" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13264" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.644E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.1463E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7398000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85958" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.279E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.285" />
+  <B value="-0.0090207" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.67" />
+  <Tmax units="K"  value="139.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77915" />
+  <B value="0.2805" />
+  <C value="553" />
+  <D value="0.30466" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.714" />
+  <B value="-6038.9" />
+  <C value="-7.709" />
+  <D value="0.0000063511" />
+  <E value="2" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.568557E+07" />
+  <B value="1.547069" />
+  <C value="-1.429715" />
+  <D value="-0.00159084" />
+  <E value="0.362451" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20650" />
+  <B value="1946.2" />
+  <C value="-17.152" />
+  <D value="0.083188" />
+  <E value="-0.00011775" />
+  <Tmin units="K"  value="16.73" />
+  <Tmax units="K"  value="133.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128140" />
+  <B value="215.87" />
+  <C value="5.2004" />
+  <D value="0.02446" />
+  <E value="-0.000024789" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86318" />
+  <B value="-831.43" />
+  <C value="13.758" />
+  <D value="-0.00059782" />
+  <E value="1.8276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20356" />
+  <B value="-167.13" />
+  <C value="-48.07" />
+  <D value="-1089" />
+  <E value="-4751.1" />
+  <Tmin units="K"  value="276.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.152" />
+  <B value="996.91" />
+  <C value="0.036374" />
+  <D value="-1.1545E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000007023" />
+  <B value="0.52532" />
+  <C value="331.02" />
+  <D value="-5427.4" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.034026" />
+  <B value="3.551" />
+  <C value="-1.6156" />
+  <D value="-0.00049883" />
+  <E value="-0.0000017475" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0021472" />
+  <B value="0.63073" />
+  <C value="213.01" />
+  <D value="445470" />
+  <Tmin units="K"  value="364.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010805" />
+  <B value="26.324" />
+  <C value="-3.0571" />
+  <D value="-0.00014538" />
+  <E value="-0.0000048021" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20969" />
+  <B value="503.34" />
+  <C value="0.22474" />
+  <D value="-0.00062957" />
+  <E value="2.7945E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.192" />
+  <B value="3238.2" />
+  <C value="-29.75" />
+  <Tmin units="K"  value="335.2" />
+  <Tmax units="K"  value="487.66" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0272" />
+  <B value="-0.018371" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.240833E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="350.68" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.276" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0502618" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.753434" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.253" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13264" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.017759" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13264" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1759-58-6" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(C[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="115" />
+<CompoundID name="Name"  value="Isopropylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH(CH3)2" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="601" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.422" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.79" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000981869" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14527" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.302996" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07948" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.5071E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.305E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="407080" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.041E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77168" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8944E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.934" />
+  <B value="-0.007675" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.72" />
+  <Tmax units="K"  value="161.79" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.01997" />
+  <B value="0.048466" />
+  <C value="601" />
+  <D value="0.10484" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.74905" />
+  <B value="-6671.509" />
+  <C value="-7.204875" />
+  <D value="3.983606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.807013E+07" />
+  <B value="1.420456" />
+  <C value="-3.256998" />
+  <D value="3.923183" />
+  <E value="-1.686337" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="601" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77318" />
+  <B value="-174.75" />
+  <C value="11.36" />
+  <D value="0.00375" />
+  <E value="-0.0000015189" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="444.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31291" />
+  <B value="-392.29" />
+  <C value="12.88" />
+  <D value="0.0005799" />
+  <E value="-2.3026E-07" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27337" />
+  <B value="-340.23" />
+  <C value="-54.214" />
+  <D value="-3747.5" />
+  <E value="-9730.3" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.637" />
+  <B value="1116.2" />
+  <C value="0.10394" />
+  <D value="-3.9216E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3283E-08" />
+  <B value="0.84204" />
+  <C value="92.528" />
+  <D value="-7299.5" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057129" />
+  <B value="3.4704" />
+  <C value="-1.5201" />
+  <D value="-0.00050193" />
+  <E value="-0.0000011418" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.10336" />
+  <B value="0.072913" />
+  <C value="-474.32" />
+  <D value="1330800" />
+  <Tmin units="K"  value="399.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018773" />
+  <B value="0.51195" />
+  <C value="-2.5976" />
+  <D value="-0.001413" />
+  <E value="-0.0000015235" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-58984" />
+  <B value="846.07" />
+  <C value="-0.47718" />
+  <D value="0.000096903" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.93" />
+  <B value="3299.8" />
+  <C value="-48.694" />
+  <Tmin units="K"  value="362.52" />
+  <Tmax units="K"  value="530" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3089" />
+  <B value="-0.016084" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.431762" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.080372E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.1565" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.58138" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.056894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781251" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.302996" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14527" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.008055" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.73788" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.302996" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14527" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3875-51-2" />
+<Smiles name="SMILES"  value="C1CCCC1(C(C)C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="116" />
+<CompoundID name="Name"  value="1-methyl-1-ethylcyclopentane" />
+<StructureFormula name="Structure"  value="-C(CH3)(C2H5)CH2CH2CH2CH2-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.672" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="129.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="129.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.16711E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144502" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.329811" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.773E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08182" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.099E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.549E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.067E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.88921E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.333" />
+  <B value="-0.0099857" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.74" />
+  <Tmax units="K"  value="129.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62398" />
+  <B value="0.26553" />
+  <C value="582" />
+  <D value="0.28568" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.30095" />
+  <B value="-6628.265" />
+  <C value="-7.112201" />
+  <D value="3.497931E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="585" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.14848E+07" />
+  <B value="0.288357" />
+  <C value="0.487845" />
+  <D value="-0.669561" />
+  <E value="0.236062" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="582" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96111" />
+  <B value="-59.039" />
+  <C value="10.164" />
+  <D value="0.0078449" />
+  <E value="-0.0000067267" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80936" />
+  <B value="-652.6" />
+  <C value="13.464" />
+  <D value="-0.00013102" />
+  <E value="2.6661E-08" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.040536" />
+  <B value="52.83" />
+  <C value="-127.64" />
+  <D value="96352" />
+  <E value="-263290" />
+  <Tmin units="K"  value="291" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.773" />
+  <B value="1099.9" />
+  <C value="-0.048343" />
+  <D value="1.7107E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5602E-07" />
+  <B value="0.57042" />
+  <C value="274.82" />
+  <D value="-5055.3" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0033033" />
+  <B value="9.4359" />
+  <C value="-1.8646" />
+  <D value="-0.00027" />
+  <E value="-0.0000024258" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0026462" />
+  <B value="0.59802" />
+  <C value="270.85" />
+  <D value="473470" />
+  <Tmin units="K"  value="394.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012274" />
+  <B value="18.884" />
+  <C value="-2.9134" />
+  <D value="-0.00040243" />
+  <E value="-0.000003859" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60886" />
+  <B value="871.1" />
+  <C value="-0.51466" />
+  <D value="0.00011578" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.867" />
+  <B value="3227" />
+  <C value="-49.268" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.1515" />
+  <B value="-0.01979" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445576" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.858767E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.5493" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567373" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.785294" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.329811" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144502" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3937" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.329811" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144502" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="5" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-50-5" />
+<Smiles name="SMILES"  value="C1CCCC1(C)(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="122" />
+<CompoundID name="Name"  value="N-butylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH2CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="621" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2710000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000370087" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.161572" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.37188" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.634E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.157E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.683E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.217E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="453800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.131E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5037E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8832" />
+  <B value="-0.0067223" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.07" />
+  <Tmax units="K"  value="165.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55321" />
+  <B value="0.26684" />
+  <C value="621" />
+  <D value="0.28873" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.57026" />
+  <B value="-7247.203" />
+  <C value="-5.051393" />
+  <D value="-2.973642E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="621" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.633912E+07" />
+  <B value="-0.222347" />
+  <C value="2.054738" />
+  <D value="-2.396364" />
+  <E value="0.924309" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15856" />
+  <B value="1577.6" />
+  <C value="-1.3452" />
+  <D value="-0.054207" />
+  <E value="0.00024372" />
+  <Tmin units="K"  value="14.41" />
+  <Tmax units="K"  value="154.28" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165400" />
+  <B value="317.8" />
+  <C value="5.7051" />
+  <D value="0.0202" />
+  <E value="-0.000017103" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82154" />
+  <B value="-554.7" />
+  <C value="13.299" />
+  <D value="0.00015408" />
+  <E value="-5.7536E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32315" />
+  <B value="-400.67" />
+  <C value="-80.571" />
+  <D value="-12802" />
+  <E value="-5984.5" />
+  <Tmin units="K"  value="310.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.446" />
+  <B value="1200.4" />
+  <C value="-0.12541" />
+  <D value="4.6316E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029081" />
+  <B value="0.33269" />
+  <C value="700.46" />
+  <D value="-5220.4" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059329" />
+  <B value="3.6894" />
+  <C value="-1.5397" />
+  <D value="-0.00046539" />
+  <E value="-0.0000010217" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.001615" />
+  <B value="0.65033" />
+  <C value="212.05" />
+  <D value="447790" />
+  <Tmin units="K"  value="429.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011464" />
+  <B value="28.973" />
+  <C value="-3.0712" />
+  <D value="0.000095681" />
+  <E value="-0.000003989" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-39198" />
+  <B value="866.48" />
+  <C value="-0.45949" />
+  <D value="0.000092411" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.885" />
+  <B value="3420.5" />
+  <C value="-64.212" />
+  <Tmin units="K"  value="375.65" />
+  <Tmax units="K"  value="549.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.1614" />
+  <B value="-0.015728" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.500385" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.576352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.0157" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0642821" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.789312" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.37188" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.161572" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.068799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.856" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.37188" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16390" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.161572" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2040-95-1" />
+<Smiles name="SMILES"  value="C1CCCC1(CCCC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="141" />
+<CompoundID name="Name"  value="1,1-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-C(CH3)2(CH2)5-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="239.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="239.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="60.5841" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144469" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2376" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.668E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.042E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.81E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.52293E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="365012" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2020870" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80822" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8639E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3147" />
+  <B value="-0.0043166" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="95.86" />
+  <Tmax units="K"  value="239.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55073" />
+  <B value="0.24971" />
+  <C value="591.15" />
+  <D value="0.27534" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.518" />
+  <B value="-6942.5" />
+  <C value="-8.9" />
+  <D value="0.0000054941" />
+  <E value="2" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.5815E+07" />
+  <B value="2.7664" />
+  <C value="-6.0218" />
+  <D value="6.1598" />
+  <E value="-2.4093" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16424" />
+  <B value="1881.1" />
+  <C value="-20.206" />
+  <D value="0.13922" />
+  <E value="-0.00034887" />
+  <Tmin units="K"  value="12.31" />
+  <Tmax units="K"  value="141.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108760" />
+  <B value="-1.4419" />
+  <C value="9.7271" />
+  <D value="0.0071596" />
+  <E value="-0.0000038148" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97627" />
+  <B value="-847.07" />
+  <C value="13.952" />
+  <D value="-0.00053736" />
+  <E value="1.4024E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2363" />
+  <B value="-268.25" />
+  <C value="-48.059" />
+  <D value="-9529.6" />
+  <E value="18562" />
+  <Tmin units="K"  value="295.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7034" />
+  <B value="1042.4" />
+  <C value="-0.53177" />
+  <D value="8.3765E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8141E-07" />
+  <B value="0.4995" />
+  <C value="371.04" />
+  <D value="124.2" />
+  <Tmin units="K"  value="392.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0057011" />
+  <B value="-80.549" />
+  <C value="-0.98212" />
+  <D value="-0.0030094" />
+  <E value="4.8733E-07" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.01079" />
+  <B value="0.39433" />
+  <C value="-74.36" />
+  <D value="805370" />
+  <Tmin units="K"  value="392.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.080643" />
+  <B value="-31.636" />
+  <C value="-1.6941" />
+  <D value="-0.0017816" />
+  <E value="8.0067E-07" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-48680" />
+  <B value="799.8" />
+  <C value="-0.38203" />
+  <D value="0.000059621" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.484" />
+  <B value="3005.4" />
+  <C value="-57.186" />
+  <Tmin units="K"  value="355.67" />
+  <Tmax units="K"  value="517.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4746" />
+  <B value="-0.012099" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.912149E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.7583" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18749" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567527" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.785287" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144469" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3937" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.007389" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.07093" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15670" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144469" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="5" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-66-9" />
+<Smiles name="SMILES"  value="C1CCCCC1(C)(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="142" />
+<CompoundID name="Name"  value="Cis-1,2-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)4-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="606.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="402.94" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.41394" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2363" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.759E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.72172E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.12124E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1645150" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76657" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.87084E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6128" />
+  <B value="-0.0047681" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.26" />
+  <Tmax units="K"  value="223.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52003" />
+  <B value="0.24148" />
+  <C value="606.15" />
+  <D value="0.2655" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.675" />
+  <B value="-7110.6" />
+  <C value="-8.5422" />
+  <D value="0.0000045741" />
+  <E value="2" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6247E+07" />
+  <B value="1.824" />
+  <C value="-3.744" />
+  <D value="3.9502" />
+  <E value="-1.5633" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13300" />
+  <B value="1529.1" />
+  <C value="-10.715" />
+  <D value="0.053025" />
+  <E value="-0.000098378" />
+  <Tmin units="K"  value="11.92" />
+  <Tmax units="K"  value="167.87" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111710" />
+  <B value="52.625" />
+  <C value="9.3729" />
+  <D value="0.0077553" />
+  <E value="-0.0000040932" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="402.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99210" />
+  <B value="-835.35" />
+  <C value="13.925" />
+  <D value="-0.00054754" />
+  <E value="1.5043E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23913" />
+  <B value="-321.51" />
+  <C value="-44.828" />
+  <D value="7459.3" />
+  <E value="-24725" />
+  <Tmin units="K"  value="303.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.312" />
+  <B value="1465.3" />
+  <C value="0.097955" />
+  <D value="-4.4792E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="484.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.4568E-07" />
+  <B value="0.48702" />
+  <C value="397.94" />
+  <D value="11.816" />
+  <Tmin units="K"  value="402.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.013234" />
+  <B value="-31.366" />
+  <C value="-1.3892" />
+  <D value="-0.0016087" />
+  <E value="-0.0000006162" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="402.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015824" />
+  <B value="0.34516" />
+  <C value="-25.388" />
+  <D value="892770" />
+  <Tmin units="K"  value="402.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.11015" />
+  <B value="-24.856" />
+  <C value="-1.5182" />
+  <D value="-0.0015899" />
+  <E value="8.5396E-07" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-45273" />
+  <B value="798.91" />
+  <C value="-0.39513" />
+  <D value="0.000066999" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.431" />
+  <B value="3014.3" />
+  <C value="-64.403" />
+  <Tmin units="K"  value="364.26" />
+  <Tmax units="K"  value="525.52" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9831" />
+  <B value="-0.012867" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="484.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.994164E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.7631" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.52986" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559709" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.800519" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2363" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.014432" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.61866" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2363" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-01-4" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])([C@]([H])(C)(CCC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="143" />
+<CompoundID name="Name"  value="Trans-1,2-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)4-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="596.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="396.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="184.99" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="184.99" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0803872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2416" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.883E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.79996E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.44761E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370912" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.04223E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81029" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86436E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6758" />
+  <B value="-0.0058139" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74" />
+  <Tmax units="K"  value="184.99" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54418" />
+  <B value="0.25029" />
+  <C value="596.15" />
+  <D value="0.26582" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="78.951" />
+  <B value="-6905.8" />
+  <C value="-8.4915" />
+  <D value="0.0000050406" />
+  <E value="2" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="596.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3964E+07" />
+  <B value="1.6946" />
+  <C value="-3.2086" />
+  <D value="3.1663" />
+  <E value="-1.1947" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13403" />
+  <B value="1490.6" />
+  <C value="-9.8224" />
+  <D value="0.046599" />
+  <E value="-0.000082592" />
+  <Tmin units="K"  value="11.99" />
+  <Tmax units="K"  value="172.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107760" />
+  <B value="95.278" />
+  <C value="8.9456" />
+  <D value="0.0091345" />
+  <E value="-0.000005166" />
+  <Tmin units="K"  value="183.68" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97739" />
+  <B value="-799.79" />
+  <C value="13.856" />
+  <D value="-0.00049041" />
+  <E value="1.3436E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23992" />
+  <B value="-317.9" />
+  <C value="-41.61" />
+  <D value="-1205.2" />
+  <E value="1133.9" />
+  <Tmin units="K"  value="298.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.8695" />
+  <B value="1124.4" />
+  <C value="-0.19468" />
+  <D value="4.6083E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004616" />
+  <B value="0.56409" />
+  <C value="251.76" />
+  <D value="9969.9" />
+  <Tmin units="K"  value="396.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096966" />
+  <B value="-4.6856" />
+  <C value="-1.2678" />
+  <D value="-0.00075424" />
+  <E value="-4.7962E-07" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="596.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.014659" />
+  <B value="0.3596" />
+  <C value="28.311" />
+  <D value="846250" />
+  <Tmin units="K"  value="396.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013995" />
+  <B value="21.416" />
+  <C value="-2.9689" />
+  <D value="-0.00029298" />
+  <E value="-0.0000033433" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-46666" />
+  <B value="819.31" />
+  <C value="-0.42362" />
+  <D value="0.000077591" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.538" />
+  <B value="3061.4" />
+  <C value="-56.887" />
+  <Tmin units="K"  value="358.11" />
+  <Tmax units="K"  value="531.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4752" />
+  <B value="-0.015117" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.840729E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="363.458" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.24932" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0569831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.780271" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2416" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145347" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00729" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.23737" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2416" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145347" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6876-23-9" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])([C@]([H])(C)(CCC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="144" />
+<CompoundID name="Name"  value="Cis-1,3-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH(CH3)(CH2)3-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="393.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="197.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.562747" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.147281" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2414" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.972E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15640" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.84765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.98319E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370451" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08211E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91108" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.85972E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4975" />
+  <B value="-0.0053365" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.03" />
+  <Tmax units="K"  value="197.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56146" />
+  <B value="0.25431" />
+  <C value="591.15" />
+  <D value="0.28196" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.304" />
+  <B value="-6952.9" />
+  <C value="-8.6838" />
+  <D value="0.000005071" />
+  <E value="2" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8345E+07" />
+  <B value="2.0984" />
+  <C value="-4.3187" />
+  <D value="4.4054" />
+  <E value="-1.7047" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12749" />
+  <B value="1536.3" />
+  <C value="-10.653" />
+  <D value="0.050633" />
+  <E value="-0.000085289" />
+  <Tmin units="K"  value="11.75" />
+  <Tmax units="K"  value="182.14" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91638" />
+  <B value="67.51" />
+  <C value="9.6813" />
+  <D value="0.0069535" />
+  <E value="-0.0000034278" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100690" />
+  <B value="-836.69" />
+  <C value="13.908" />
+  <D value="-0.00051206" />
+  <E value="1.3582E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24082" />
+  <B value="-317.36" />
+  <C value="-39.085" />
+  <D value="-11376" />
+  <E value="30465" />
+  <Tmin units="K"  value="295.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.068" />
+  <B value="1358.3" />
+  <C value="1.3526" />
+  <D value="-0.0000038202" />
+  <E value="2" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012434" />
+  <B value="0.44274" />
+  <C value="472.75" />
+  <D value="75.213" />
+  <Tmin units="K"  value="393.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.04198" />
+  <B value="-3.8682" />
+  <C value="-1.5284" />
+  <D value="-0.00074068" />
+  <E value="-0.0000011056" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015195" />
+  <B value="0.35206" />
+  <C value="-46.167" />
+  <D value="870770" />
+  <Tmin units="K"  value="393.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081816" />
+  <B value="58.739" />
+  <C value="-3.5009" />
+  <D value="0.0012572" />
+  <E value="-0.0000062077" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-42404" />
+  <B value="786.83" />
+  <C value="-0.37657" />
+  <D value="0.000059811" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.487" />
+  <B value="2985.3" />
+  <C value="-60.096" />
+  <Tmin units="K"  value="356.47" />
+  <Tmax units="K"  value="529.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.696" />
+  <B value="-0.014492" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.912149E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.7583" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0570895" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.770374" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2414" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147281" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010622" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2414" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15640" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.147281" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="638-04-0" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(C[C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="145" />
+<CompoundID name="Name"  value="Trans-1,3-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH(CH3)(CH2)3-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="598.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.61" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.07" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0422148" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.143768" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2356" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.982E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.76565E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.63171E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="376225" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9865870" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80546" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86695E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8511" />
+  <B value="-0.0059845" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.22" />
+  <Tmax units="K"  value="183.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51304" />
+  <B value="0.23992" />
+  <C value="598.15" />
+  <D value="0.27441" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="576.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.341" />
+  <B value="-7070.2" />
+  <C value="-8.6503" />
+  <D value="0.0000047054" />
+  <E value="2" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9382E+07" />
+  <B value="2.1184" />
+  <C value="-4.4766" />
+  <D value="4.6776" />
+  <E value="-1.8318" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2368.7" />
+  <B value="925.58" />
+  <C value="0.83506" />
+  <D value="-0.035655" />
+  <E value="0.00013914" />
+  <Tmin units="K"  value="26.36" />
+  <Tmax units="K"  value="171.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121960" />
+  <B value="76.643" />
+  <C value="8.8176" />
+  <D value="0.0095602" />
+  <E value="-0.0000057205" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="397.61" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101700" />
+  <B value="-844.25" />
+  <C value="13.931" />
+  <D value="-0.00056374" />
+  <E value="1.5762E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24033" />
+  <B value="-319.57" />
+  <C value="-41.842" />
+  <D value="-2180.6" />
+  <E value="3918.4" />
+  <Tmin units="K"  value="299" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.854" />
+  <B value="1074.4" />
+  <C value="-0.03203" />
+  <D value="4.561E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="183.07" />
+  <Tmax units="K"  value="478.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000023976" />
+  <B value="0.3653" />
+  <C value="664.66" />
+  <D value="3836.7" />
+  <Tmin units="K"  value="397.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046977" />
+  <B value="2.8897" />
+  <C value="-1.5646" />
+  <D value="-0.00046419" />
+  <E value="-0.0000013304" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="397.61" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.016485" />
+  <B value="0.34326" />
+  <C value="5.6687" />
+  <D value="894520" />
+  <Tmin units="K"  value="397.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081604" />
+  <B value="50.552" />
+  <C value="-3.3636" />
+  <D value="0.0009936" />
+  <E value="-0.0000060087" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40884" />
+  <B value="783.56" />
+  <C value="-0.38232" />
+  <D value="0.000063738" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.425" />
+  <B value="2962.4" />
+  <C value="-64.71" />
+  <Tmin units="K"  value="360.62" />
+  <Tmax units="K"  value="532.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0122" />
+  <B value="-0.010989" />
+  <Tmin units="K"  value="183.07" />
+  <Tmax units="K"  value="478.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.87092E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="359.8914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565457" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.790566" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2356" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143768" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.014903" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2356" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143768" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-03-6" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(C[C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="146" />
+<CompoundID name="Name"  value="Cis-1,4-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH2CH(CH3)(CH2)2-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="598.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.744" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0704204" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144106" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.905E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.76648E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.79489E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370451" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9307730" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86704E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7979" />
+  <B value="-0.0058522" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.29" />
+  <Tmax units="K"  value="185.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53336" />
+  <B value="0.24533" />
+  <C value="598.15" />
+  <D value="0.2771" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.163" />
+  <B value="-7004.6" />
+  <C value="-8.4779" />
+  <D value="0.0000046053" />
+  <E value="2" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="598.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1514E+07" />
+  <B value="2.3724" />
+  <C value="-5.2021" />
+  <D value="5.4751" />
+  <E value="-2.1521" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15617" />
+  <B value="1688.8" />
+  <C value="-13.402" />
+  <D value="0.071342" />
+  <E value="-0.00014259" />
+  <Tmin units="K"  value="19.17" />
+  <Tmax units="K"  value="173.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110770" />
+  <B value="140.07" />
+  <C value="8.7617" />
+  <D value="0.0091373" />
+  <E value="-0.0000048302" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101700" />
+  <B value="-844.25" />
+  <C value="13.931" />
+  <D value="-0.00056374" />
+  <E value="1.5762E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23973" />
+  <B value="-318.64" />
+  <C value="-42.246" />
+  <D value="-26.054" />
+  <E value="-2319.1" />
+  <Tmin units="K"  value="299.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.704" />
+  <B value="1391.4" />
+  <C value="1.6378" />
+  <D value="-0.0000047953" />
+  <E value="2" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000024207" />
+  <B value="0.36412" />
+  <C value="666.44" />
+  <D value="4231" />
+  <Tmin units="K"  value="397.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.063527" />
+  <B value="3.3026" />
+  <C value="-1.4941" />
+  <D value="-0.0004362" />
+  <E value="-0.0000011663" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.016747" />
+  <B value="0.34072" />
+  <C value="-1.7965" />
+  <D value="898230" />
+  <Tmin units="K"  value="397.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013074" />
+  <B value="24.299" />
+  <C value="-3.0007" />
+  <D value="-0.00018331" />
+  <E value="-0.0000036266" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40884" />
+  <B value="783.56" />
+  <C value="-0.38232" />
+  <D value="0.000063738" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.447" />
+  <B value="2982.9" />
+  <C value="-63.108" />
+  <Tmin units="K"  value="359.37" />
+  <Tmax units="K"  value="533.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4904" />
+  <B value="-0.015056" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.87092E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="359.8914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.50855" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0569489" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.787298" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2348" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144106" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.007723" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.55767" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2348" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15980" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144106" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-29-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(CC[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="147" />
+<CompoundID name="Name"  value="Trans-1,4-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH2CH(CH3)(CH2)2-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="590.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2940000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.51" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.21" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.21" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="44.9802" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.147921" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2429" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.907E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.84598E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.17147E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="364803" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2332E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86026E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1298" />
+  <B value="-0.0043046" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.48" />
+  <Tmax units="K"  value="236.21" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.064652" />
+  <B value="0.087885" />
+  <C value="590.15" />
+  <D value="0.13093" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.56244" />
+  <B value="-7078.051" />
+  <C value="-9.547047" />
+  <D value="6.602527E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5648E+07" />
+  <B value="0.9536" />
+  <C value="-1.3747" />
+  <D value="1.3927" />
+  <E value="-0.55606" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27978" />
+  <B value="-360.95" />
+  <C value="18.399" />
+  <D value="-0.12928" />
+  <E value="0.00030483" />
+  <Tmin units="K"  value="42.39" />
+  <Tmax units="K"  value="220.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119770" />
+  <B value="186.95" />
+  <C value="7.9604" />
+  <D value="0.011554" />
+  <E value="-0.0000069633" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="392.51" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97979" />
+  <B value="-830.68" />
+  <C value="13.935" />
+  <D value="-0.00055238" />
+  <E value="1.5056E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24172" />
+  <B value="-316.33" />
+  <C value="-39.161" />
+  <D value="-2542.7" />
+  <E value="4823.9" />
+  <Tmin units="K"  value="293.85" />
+  <Tmax units="K"  value="1885.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7946" />
+  <B value="1113.8" />
+  <C value="-0.41314" />
+  <D value="9.8767E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6365E-07" />
+  <B value="0.52158" />
+  <C value="345.67" />
+  <D value="-1560.6" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0015458" />
+  <B value="-71.843" />
+  <C value="-1.1073" />
+  <D value="-0.0027831" />
+  <E value="1.5512E-07" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="392.51" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.012496" />
+  <B value="0.37939" />
+  <C value="-0.8405" />
+  <D value="811480" />
+  <Tmin units="K"  value="392.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.087781" />
+  <B value="-24.069" />
+  <C value="-1.6989" />
+  <D value="-0.0016706" />
+  <E value="8.2848E-07" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-49692" />
+  <B value="818.1" />
+  <C value="-0.41274" />
+  <D value="0.000071848" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.823" />
+  <B value="3222.8" />
+  <C value="-45.899" />
+  <Tmin units="K"  value="355" />
+  <Tmax units="K"  value="530" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6989" />
+  <B value="-0.011979" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.850979E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="350.4008" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.9739" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567868" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.766148" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2429" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147921" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.021283" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.8685" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2429" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.147921" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-04-7" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(CC[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="62" />
+<CompoundID name="Name"  value="Tert-butylcyclohexane" />
+<StructureFormula name="Structure"  value="C6H11C(CH3)3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="652" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.51" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.98" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="140.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.299134" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.413E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1023" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.695E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="445700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.091E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="7.857" />
+  <B value="-0.004234" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="92.79" />
+  <Tmax units="K"  value="231.98" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52388" />
+  <B value="0.26705" />
+  <C value="652" />
+  <D value="0.32913" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="123.1664" />
+  <B value="-9675.557" />
+  <C value="-15.08186" />
+  <D value="0.0000105041" />
+  <E value="2" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="652" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9454E+07" />
+  <B value="0.40915" />
+  <C value="1.6494" />
+  <D value="-3.4494" />
+  <E value="1.9573" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7696.3" />
+  <B value="1009" />
+  <C value="-1.0555" />
+  <D value="0.0022168" />
+  <E value="-0.0000028006" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="231.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40996" />
+  <B value="-122.74" />
+  <C value="11.846" />
+  <D value="0.0032488" />
+  <E value="-0.0000015611" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95339" />
+  <B value="-601.24" />
+  <C value="13.623" />
+  <D value="-0.000018521" />
+  <E value="-1.574E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29828" />
+  <B value="-390.95" />
+  <C value="-86.65" />
+  <D value="-19290" />
+  <E value="30745" />
+  <Tmin units="K"  value="326" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.549" />
+  <B value="1445.9" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6046E-08" />
+  <B value="0.87493" />
+  <C value="72.873" />
+  <D value="-5600.2" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.054405" />
+  <B value="-203.55" />
+  <C value="-0.50495" />
+  <D value="-0.0065818" />
+  <E value="0.0000029095" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.077607" />
+  <B value="0.14004" />
+  <C value="-91.94" />
+  <D value="1372500" />
+  <Tmin units="K"  value="444.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.089059" />
+  <B value="-24.697" />
+  <C value="-1.6764" />
+  <D value="-0.0015612" />
+  <E value="7.2073E-07" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-78018" />
+  <B value="1134.2" />
+  <C value="-0.67392" />
+  <D value="0.00015048" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.565" />
+  <B value="3373.6" />
+  <C value="-71.505" />
+  <Tmin units="K"  value="392.72" />
+  <Tmax units="K"  value="585.68" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.57156" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.868773E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.5641" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="205.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.069791" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81854" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.299134" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1734" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7417" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000764" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.299134" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1734" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3178-22-1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="511" />
+<CompoundID name="Name"  value="O-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="651.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00376669" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136967" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2941" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.084E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1213360" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.31055E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="399350" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9962100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96524" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94607E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.148" />
+  <B value="-0.0059039" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.94" />
+  <Tmax units="K"  value="192.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.37928" />
+  <B value="0.20513" />
+  <C value="651.15" />
+  <D value="0.23356" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="646.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.1971" />
+  <B value="-8650.261" />
+  <C value="-10.86209" />
+  <D value="5.918239E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.227273E+07" />
+  <B value="1.968046" />
+  <C value="-3.535916" />
+  <D value="3.107317" />
+  <E value="-1.061436" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="651.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-102370" />
+  <B value="-26.419" />
+  <C value="12.162" />
+  <D value="0.0026059" />
+  <E value="-0.000002126" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="438.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85432" />
+  <B value="-569.61" />
+  <C value="13.054" />
+  <D value="0.000095945" />
+  <E value="-4.3717E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28121" />
+  <B value="-390.33" />
+  <C value="-73.261" />
+  <D value="-55800" />
+  <E value="123430" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1953" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.303" />
+  <B value="1378.1" />
+  <C value="-0.24629" />
+  <D value="5.1436E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4089E-07" />
+  <B value="0.56719" />
+  <C value="270.1" />
+  <D value="-4560.2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059289" />
+  <B value="4.2071" />
+  <C value="-1.4739" />
+  <D value="-0.00039236" />
+  <E value="-0.0000010623" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="438.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092842" />
+  <B value="1.0422" />
+  <C value="544.16" />
+  <D value="63099" />
+  <Tmin units="K"  value="438.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095325" />
+  <B value="42.422" />
+  <C value="-3.1128" />
+  <D value="0.0004594" />
+  <E value="-0.0000045591" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1934.6" />
+  <B value="607.55" />
+  <C value="-0.29066" />
+  <D value="0.000046885" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.073" />
+  <B value="3576.5" />
+  <C value="-63.713" />
+  <Tmin units="K"  value="394.26" />
+  <Tmax units="K"  value="577.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7738" />
+  <B value="-0.013269" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.253199E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.0414" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565227" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.885597" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2941" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136967" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.047885" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2941" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136967" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="611-14-3" />
+<Smiles name="SMILES"  value="c1(CC)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="512" />
+<CompoundID name="Name"  value="M-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.49" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.61" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000664959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.139685" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3232" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.265E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1920000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.2643E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="404280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7610000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98305" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94377E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.088" />
+  <B value="-0.0063302" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="71.04" />
+  <Tmax units="K"  value="177.61" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61007" />
+  <B value="0.26045" />
+  <C value="637.15" />
+  <D value="0.2946" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.906" />
+  <B value="-6895.5" />
+  <C value="-5.4176" />
+  <D value="0.00000211" />
+  <E value="2" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="637.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.562712E+07" />
+  <B value="1.251642" />
+  <C value="-2.311984" />
+  <D value="2.123485" />
+  <E value="-0.635116" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="637.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136340" />
+  <B value="-1484.6" />
+  <C value="20.724" />
+  <D value="-0.020829" />
+  <E value="0.000018949" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77831" />
+  <B value="-586.35" />
+  <C value="13.16" />
+  <D value="0.0000010287" />
+  <E value="-1.3417E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30122" />
+  <B value="-402.05" />
+  <C value="-67.704" />
+  <D value="-53853" />
+  <E value="119410" />
+  <Tmin units="K"  value="318.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.732" />
+  <B value="1285.7" />
+  <C value="-0.12931" />
+  <D value="2.7444E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7246E-07" />
+  <B value="0.55389" />
+  <C value="274.11" />
+  <D value="-5848.6" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.048117" />
+  <B value="4.2831" />
+  <C value="-1.5331" />
+  <D value="-0.00039971" />
+  <E value="-0.0000012216" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000091259" />
+  <B value="1.0513" />
+  <C value="653.39" />
+  <D value="40428" />
+  <Tmin units="K"  value="434.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008518" />
+  <B value="41.345" />
+  <C value="-3.1089" />
+  <D value="0.00042327" />
+  <E value="-0.0000050765" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22026" />
+  <B value="689.66" />
+  <C value="-0.38171" />
+  <D value="0.000078428" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.48" />
+  <B value="3836.8" />
+  <C value="-48.994" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="564.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9923" />
+  <B value="-0.016106" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.618039E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.61" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0566058" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.869111" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3232" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139685" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.036093" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3232" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17630" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139685" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="620-14-4" />
+<Smiles name="SMILES"  value="c1(CC)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="513" />
+<CompoundID name="Name"  value="P-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="640.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.44" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="435.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="210.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="210.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0782406" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1396" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.364" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.189E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3260000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.268E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="398900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.336E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.26912" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94268E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8403" />
+  <B value="-0.0052743" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="84.33" />
+  <Tmax units="K"  value="210.83" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60155" />
+  <B value="0.25704" />
+  <C value="640.2" />
+  <D value="0.31664" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="21.19382" />
+  <B value="-5103.792" />
+  <C value="0.409026" />
+  <D value="-2.319216E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="640.23" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1677E+07" />
+  <B value="1.0708" />
+  <C value="-1.1055" />
+  <D value="0.62044" />
+  <E value="-0.16372" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="640.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="30748" />
+  <B value="-85.511" />
+  <C value="11.539" />
+  <D value="0.0037389" />
+  <E value="-0.0000030029" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75636" />
+  <B value="-568.13" />
+  <C value="13.103" />
+  <D value="0.000082441" />
+  <E value="-4.4902E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25573" />
+  <B value="-344.8" />
+  <C value="-83.9" />
+  <D value="-25209" />
+  <E value="34327" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1920" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-23.973" />
+  <B value="1681.2" />
+  <C value="1.9315" />
+  <D value="6.328E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7075E-07" />
+  <B value="0.5347" />
+  <C value="318.96" />
+  <D value="-7211.9" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.065655" />
+  <B value="1.2156" />
+  <C value="-1.4285" />
+  <D value="-0.00047761" />
+  <E value="-9.6417E-07" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000095782" />
+  <B value="1.0471" />
+  <C value="660.61" />
+  <D value="40132" />
+  <Tmin units="K"  value="435.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0089903" />
+  <B value="31.501" />
+  <C value="-3.0152" />
+  <D value="0.00008036" />
+  <E value="-0.0000045289" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42379" />
+  <B value="144.55" />
+  <C value="1.1308" />
+  <D value="-0.0016046" />
+  <E value="6.4994E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.064" />
+  <B value="3570" />
+  <C value="-60.902" />
+  <Tmin units="K"  value="385.57" />
+  <Tmax units="K"  value="573.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0788" />
+  <B value="-0.01068" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.179642E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.9297" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.68733" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0574321" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866093" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.364" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.036093" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.75305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.364" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="622-96-8" />
+<Smiles name="SMILES"  value="c1(CC)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="514" />
+<CompoundID name="Name"  value="1,2,3-trimethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="664.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3454000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="449.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.79" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.70834" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13322" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.367" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.127E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08181" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9568810" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.244E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8170000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1114" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.93394E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7697" />
+  <B value="-0.0043665" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.12" />
+  <Tmax units="K"  value="247.79" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.47081" />
+  <B value="0.22935" />
+  <C value="664.5" />
+  <D value="0.22914" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="664.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.4032" />
+  <B value="-9139.734" />
+  <C value="-11.94112" />
+  <D value="6.875135E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="664.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.897E+07" />
+  <B value="0.31296" />
+  <C value="0.11034" />
+  <D value="-0.18707" />
+  <E value="0.12203" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="642.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="165120" />
+  <B value="-5147.2" />
+  <C value="80.052" />
+  <D value="-0.45918" />
+  <E value="0.00093095" />
+  <Tmin units="K"  value="59.99" />
+  <Tmax units="K"  value="230.27" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="158190" />
+  <B value="-110.87" />
+  <C value="9.7005" />
+  <D value="0.0066246" />
+  <E value="-0.000003875" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97344" />
+  <B value="-642.53" />
+  <C value="13.123" />
+  <D value="0.000061931" />
+  <E value="-4.6438E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26373" />
+  <B value="-348.47" />
+  <C value="-92.015" />
+  <D value="-13079" />
+  <E value="-14420" />
+  <Tmin units="K"  value="332.23" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.622" />
+  <B value="1547.6" />
+  <C value="0.25604" />
+  <D value="-4.4218E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="449.27" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8569E-07" />
+  <B value="0.49843" />
+  <C value="362.98" />
+  <D value="-102.15" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.066267" />
+  <B value="303.46" />
+  <C value="-5.2163" />
+  <D value="0.0092731" />
+  <E value="-0.000014825" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000093303" />
+  <B value="1.0419" />
+  <C value="539.24" />
+  <D value="56545" />
+  <Tmin units="K"  value="449.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0045939" />
+  <B value="547.15" />
+  <C value="-7.5443" />
+  <D value="0.012641" />
+  <E value="-0.000016044" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="642.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33607" />
+  <B value="259.01" />
+  <C value="0.84683" />
+  <D value="-0.0013521" />
+  <E value="5.7553E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.569" />
+  <B value="4045.6" />
+  <C value="-46.375" />
+  <Tmin units="K"  value="399.82" />
+  <Tmax units="K"  value="595" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.023" />
+  <B value="-0.01311" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="449.27" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.895957E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="373.9802" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66379" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0557463" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.899219" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.367" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13322" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014458" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1405" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.367" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13322" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="526-73-8" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="515" />
+<CompoundID name="Name"  value="1,2,4-trimethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="649.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3232000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="229.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.69347" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.377" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.199E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08181" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.392E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.17E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="395870" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.319E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1182" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.93067E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7544" />
+  <B value="-0.0047176" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.73" />
+  <Tmax units="K"  value="229.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61782" />
+  <B value="0.26243" />
+  <C value="649.1" />
+  <D value="0.28053" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="60.23044" />
+  <B value="-7113.208" />
+  <C value="-5.408973" />
+  <D value="1.637451E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="649.17" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6212E+07" />
+  <B value="0.612793" />
+  <C value="0.157992" />
+  <D value="-1.024462" />
+  <E value="0.66352" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11144" />
+  <B value="1377.6" />
+  <C value="-5.4631" />
+  <D value="0.013913" />
+  <E value="-0.000011765" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="229.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="159260" />
+  <B value="100.48" />
+  <C value="7.176" />
+  <D value="0.015511" />
+  <E value="-0.000013842" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="377.59" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86220" />
+  <B value="-588.22" />
+  <C value="13.049" />
+  <D value="0.00013217" />
+  <E value="-6.3042E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21967" />
+  <B value="-308.5" />
+  <C value="-93.453" />
+  <D value="-7582" />
+  <E value="-20640" />
+  <Tmin units="K"  value="324.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.655" />
+  <B value="1676.9" />
+  <C value="1.8204" />
+  <D value="-0.0000040799" />
+  <E value="2" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0311E-07" />
+  <B value="0.47728" />
+  <C value="388.95" />
+  <D value="-1321.5" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.097311" />
+  <B value="-7.9329" />
+  <C value="-1.1933" />
+  <D value="-0.00075728" />
+  <E value="-4.2291E-07" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000071734" />
+  <B value="1.0715" />
+  <C value="503.12" />
+  <D value="48355" />
+  <Tmin units="K"  value="442.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011514" />
+  <B value="38.782" />
+  <C value="-3.0516" />
+  <D value="0.00024183" />
+  <E value="-0.0000039588" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44225" />
+  <B value="166.9" />
+  <C value="1.0006" />
+  <D value="-0.0014029" />
+  <E value="5.5599E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.398" />
+  <B value="3864.8" />
+  <C value="-51.014" />
+  <Tmin units="K"  value="392.48" />
+  <Tmax units="K"  value="583.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0344" />
+  <B value="-0.013005" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.25304E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.9704" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.5894" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565352" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880542" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.377" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.010675" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98594" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.377" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-63-6" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="516" />
+<CompoundID name="Name"  value="Mesitylene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3127000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.43" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="437.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="228.46" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="228.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.742135" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14299" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.399" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.375E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08183" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.605E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.181E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="385410" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9514000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.05218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.92904E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6603" />
+  <B value="-0.004682" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.37" />
+  <Tmax units="K"  value="228.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59019" />
+  <B value="0.25742" />
+  <C value="637.3" />
+  <D value="0.27724" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.5616" />
+  <B value="-9560.276" />
+  <C value="-14.30644" />
+  <D value="9.375247E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9292E+07" />
+  <B value="1.0706" />
+  <C value="-1.5094" />
+  <D value="1.269" />
+  <E value="-0.42864" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5866.5" />
+  <B value="1641.6" />
+  <C value="-10.768" />
+  <D value="0.042606" />
+  <E value="-0.000061561" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="228.42" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152130" />
+  <B value="279.49" />
+  <C value="4.8304" />
+  <D value="0.024632" />
+  <E value="-0.000024309" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76799" />
+  <B value="-561.49" />
+  <C value="13.016" />
+  <D value="0.00018488" />
+  <E value="-8.0041E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24882" />
+  <B value="-343.87" />
+  <C value="-78.688" />
+  <D value="-32243" />
+  <E value="54062" />
+  <Tmin units="K"  value="318.64" />
+  <Tmax units="K"  value="1911.84" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.283" />
+  <B value="1439.3" />
+  <C value="-0.15787" />
+  <D value="0.0000019934" />
+  <E value="2" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4877E-07" />
+  <B value="0.61399" />
+  <C value="342.31" />
+  <D value="-16742" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012521" />
+  <B value="77.398" />
+  <C value="-2.4912" />
+  <D value="0.0027181" />
+  <E value="-0.0000053908" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.3225" />
+  <B value="-0.079944" />
+  <C value="-464.54" />
+  <D value="1938200" />
+  <Tmin units="K"  value="437.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.055828" />
+  <B value="-26.825" />
+  <C value="-1.91" />
+  <D value="-0.0017202" />
+  <E value="3.8899E-07" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44108" />
+  <B value="166.61" />
+  <C value="0.96498" />
+  <D value="-0.0013567" />
+  <E value="5.4069E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.468" />
+  <B value="3822" />
+  <C value="-53.453" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0703" />
+  <B value="-0.013286" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445635" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.362983E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.2722" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.057193" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.869455" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.399" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14299" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.399" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14299" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-67-8" />
+<Smiles name="SMILES"  value="c1(C)cc(C)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="519" />
+<CompoundID name="Name"  value="Isobutylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH(CH3)2" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="650" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="445.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.289087" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15808" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.555E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09019" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.146E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.054E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.388E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.25E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0374" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.56974E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6003" />
+  <B value="-0.0043101" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="88.68" />
+  <Tmax units="K"  value="221.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54967" />
+  <B value="0.26271" />
+  <C value="650" />
+  <D value="0.30807" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.24209" />
+  <B value="-8752.864" />
+  <C value="-11.04244" />
+  <D value="6.424651E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="650" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.0838E+07" />
+  <B value="0.30052" />
+  <C value="0.25612" />
+  <D value="-0.19969" />
+  <E value="-0.0011249" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6990.9" />
+  <B value="980.23" />
+  <C value="-2.1589" />
+  <D value="0.0063245" />
+  <E value="-0.0000082806" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="221.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116150" />
+  <B value="-36.608" />
+  <C value="10.189" />
+  <D value="0.0074074" />
+  <E value="-0.0000060747" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83364" />
+  <B value="-556.41" />
+  <C value="13.277" />
+  <D value="0.000016037" />
+  <E value="-2.0047E-08" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30201" />
+  <B value="-383.93" />
+  <C value="-94.545" />
+  <D value="-4562.5" />
+  <E value="-39381" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.546" />
+  <B value="1392.5" />
+  <C value="0.17362" />
+  <D value="-2.3672E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.8764E-07" />
+  <B value="0.58977" />
+  <C value="249.51" />
+  <D value="1034.4" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.033263" />
+  <B value="-23.962" />
+  <C value="-1.3695" />
+  <D value="-0.001338" />
+  <E value="-2.5251E-07" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000022162" />
+  <B value="1.2141" />
+  <C value="174.06" />
+  <D value="50162" />
+  <Tmin units="K"  value="445.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0096431" />
+  <B value="44.533" />
+  <C value="-3.1993" />
+  <D value="0.00043442" />
+  <E value="-0.0000043503" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-39186" />
+  <B value="861.97" />
+  <C value="-0.52789" />
+  <D value="0.00012235" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.764801" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="270.8167" />
+  <Tmax units="K"  value="440.8167" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.694" />
+  <B value="4111.8" />
+  <C value="-41.494" />
+  <Tmin units="K"  value="390.04" />
+  <Tmax units="K"  value="582.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7768" />
+  <B value="-0.013263" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.99996E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="385.9366" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641263" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.857681" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15808" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.013419" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16860" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15808" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="538-93-2" />
+<Smiles name="SMILES"  value="c1(CC(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="520" />
+<CompoundID name="Name"  value="Sec-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH(CH3)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="664.54" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2930000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="197.717" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.717" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00180534" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156497" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.279149" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.564E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09019" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.146E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.73E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4523E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9830000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87947" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.563E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7924" />
+  <B value="-0.0049215" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.09" />
+  <Tmax units="K"  value="197.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51273" />
+  <B value="0.25494" />
+  <C value="664.54" />
+  <D value="0.28096" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="222.2329" />
+  <B value="-13854.88" />
+  <C value="-30.30702" />
+  <D value="0.0000262583" />
+  <E value="2" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.1793E+07" />
+  <B value="-4.1563" />
+  <C value="12.591" />
+  <D value="-13.449" />
+  <E value="5.2588" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="664.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="163140" />
+  <B value="-1794.7" />
+  <C value="23.385" />
+  <D value="-0.029199" />
+  <E value="0.000028" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="498.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118430" />
+  <B value="-784.79" />
+  <C value="13.745" />
+  <D value="-0.00050199" />
+  <E value="1.4393E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32727" />
+  <B value="-453.4" />
+  <C value="-94.023" />
+  <D value="22089" />
+  <E value="-123210" />
+  <Tmin units="K"  value="289.72" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-9.695648" />
+  <B value="-444.5934" />
+  <C value="-129.1082" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="161.3" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001223" />
+  <B value="0.44278" />
+  <C value="495.81" />
+  <D value="151.45" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.042864" />
+  <B value="5.3464" />
+  <C value="-1.6033" />
+  <D value="-0.00035754" />
+  <E value="-0.0000011781" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000022" />
+  <B value="1.2101" />
+  <C value="186.5" />
+  <D value="49434" />
+  <Tmin units="K"  value="446.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0072678" />
+  <B value="56.315" />
+  <C value="-3.3559" />
+  <D value="0.00098625" />
+  <E value="-0.0000052989" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13101" />
+  <B value="760.71" />
+  <C value="-0.41343" />
+  <D value="0.000082333" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.126" />
+  <B value="3014.6" />
+  <C value="-95.941" />
+  <Tmin units="K"  value="399.82" />
+  <Tmax units="K"  value="590.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.746" />
+  <B value="-0.031996" />
+  <Tmin units="K"  value="161.3" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.180576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="364.0151" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.37782" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0633935" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.86584" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.279149" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156497" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01848" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.36042" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.279149" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156497" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="135-98-8" />
+<Smiles name="SMILES"  value="c1(C(C)CC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="521" />
+<CompoundID name="Name"  value="Tert-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)C(CH3)2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="215.27" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="215.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0910321" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155605" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.267406" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.318E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.33E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09018" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.166E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4995E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8393000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77053" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5547E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8005" />
+  <B value="-0.0046306" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.11" />
+  <Tmax units="K"  value="215.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50957" />
+  <B value="0.25071" />
+  <C value="660" />
+  <D value="0.30584" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.574" />
+  <B value="-8352.2" />
+  <C value="-9.5118" />
+  <D value="0.0000039953" />
+  <E value="2" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3167E+07" />
+  <B value="0.45262" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44844" />
+  <B value="-193.06" />
+  <C value="10.001" />
+  <D value="-0.051599" />
+  <E value="0.00010323" />
+  <Tmin units="K"  value="92.2" />
+  <Tmax units="K"  value="215.27" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="164930" />
+  <B value="701.24" />
+  <C value="1.184" />
+  <D value="0.037122" />
+  <E value="-0.000038006" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="325" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113750" />
+  <B value="-776.86" />
+  <C value="13.825" />
+  <D value="-0.0005797" />
+  <E value="1.6467E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31169" />
+  <B value="-443.18" />
+  <C value="-79.486" />
+  <D value="-14909" />
+  <E value="-8902.2" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1815" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.7" />
+  <B value="1364.1" />
+  <C value="0.038741" />
+  <D value="-3.8013E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2957E-07" />
+  <B value="0.50871" />
+  <C value="384.51" />
+  <D value="-23.513" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.052023" />
+  <B value="-143.3" />
+  <C value="-0.69673" />
+  <D value="-0.0057333" />
+  <E value="0.0000022627" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018955" />
+  <B value="1.2291" />
+  <C value="130.74" />
+  <D value="53349" />
+  <Tmin units="K"  value="442.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0065659" />
+  <B value="74.035" />
+  <C value="-3.5401" />
+  <D value="0.001524" />
+  <E value="-0.0000060556" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-27299" />
+  <B value="830.02" />
+  <C value="-0.48525" />
+  <D value="0.00010401" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.362" />
+  <B value="3143.6" />
+  <C value="-86.505" />
+  <Tmin units="K"  value="398.09" />
+  <Tmax units="K"  value="589.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5924" />
+  <B value="-0.013801" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495861" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.057317E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="366.4637" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.84715" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0635105" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.871335" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.267406" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155605" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.018084" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.90376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.267406" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17130" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155605" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-06-6" />
+<Smiles name="SMILES"  value="c1(C(C)(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="522" />
+<CompoundID name="Name"  value="O-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2895870" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="451.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="201.64" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="201.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0177118" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153824" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2769" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.439E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.56061E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.37359E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.56053E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9396" />
+  <B value="-0.0049298" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.66" />
+  <Tmax units="K"  value="201.64" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.017298" />
+  <B value="0.046645" />
+  <C value="670.15" />
+  <D value="0.11526" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.323" />
+  <B value="-6536.6" />
+  <C value="-3.5074" />
+  <D value="6.0254E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.44827E+07" />
+  <B value="3.205721" />
+  <C value="-8.334975" />
+  <D value="9.055186" />
+  <E value="-3.399515" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="670.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130330" />
+  <B value="-123.14" />
+  <C value="10.583" />
+  <D value="0.0062464" />
+  <E value="-0.0000049954" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="451.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105060" />
+  <B value="-664.9" />
+  <C value="13.437" />
+  <D value="-0.00013826" />
+  <E value="2.1794E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.021656" />
+  <B value="-196.81" />
+  <C value="-126.59" />
+  <D value="-24488" />
+  <E value="23531" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.1679" />
+  <B value="885.64" />
+  <C value="-0.29176" />
+  <D value="-7.7161E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="529.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020745" />
+  <B value="0.37852" />
+  <C value="642.92" />
+  <D value="259.27" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06145" />
+  <B value="-173.56" />
+  <C value="-0.23519" />
+  <D value="-0.0077758" />
+  <E value="0.0000038715" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="451.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000020459" />
+  <B value="1.2217" />
+  <C value="183.94" />
+  <D value="51167" />
+  <Tmin units="K"  value="451.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012864" />
+  <B value="40.847" />
+  <C value="-2.9372" />
+  <D value="-0.0001363" />
+  <E value="-0.0000031711" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-31175" />
+  <B value="828.19" />
+  <C value="-0.48457" />
+  <D value="0.00010664" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.481" />
+  <B value="4002" />
+  <C value="-49.35" />
+  <Tmin units="K"  value="402.63" />
+  <Tmax units="K"  value="585.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1517" />
+  <B value="-0.0089047" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="529.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.346598E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="342.7593" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648833" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880891" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153824" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2769" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153824" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="527-84-4" />
+<Smiles name="SMILES"  value="c1(C(C)C)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="523" />
+<CompoundID name="Name"  value="M-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="666.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="448.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.44" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0405569" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156604" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.636E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.79909E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.301E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.37E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.55802E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7359" />
+  <B value="-0.0046553" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="209.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.17699" />
+  <B value="0.14976" />
+  <C value="666.25" />
+  <D value="0.19922" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="625.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.132" />
+  <B value="-7676.5" />
+  <C value="-7.2263" />
+  <D value="0.0000031742" />
+  <E value="2" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.132017E+08" />
+  <B value="4.402749" />
+  <C value="-10.71693" />
+  <D value="11.0294" />
+  <E value="-4.113621" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="666.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129560" />
+  <B value="-114.64" />
+  <C value="10.436" />
+  <D value="0.006807" />
+  <E value="-0.0000055776" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118290" />
+  <B value="-808.58" />
+  <C value="13.818" />
+  <D value="-0.00057669" />
+  <E value="1.7291E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12974" />
+  <B value="-253.73" />
+  <C value="-121.92" />
+  <D value="-30910" />
+  <E value="33295" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2582" />
+  <B value="1048.3" />
+  <C value="-0.41448" />
+  <D value="-1.0836E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018208" />
+  <B value="0.39157" />
+  <C value="589.66" />
+  <D value="3771.8" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.042558" />
+  <B value="-18.046" />
+  <C value="-1.3081" />
+  <D value="-0.0015377" />
+  <E value="2.6414E-07" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000098162" />
+  <B value="1.3084" />
+  <C value="45.918" />
+  <D value="51418" />
+  <Tmin units="K"  value="448.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012208" />
+  <B value="47.367" />
+  <C value="-3.0587" />
+  <D value="0.000021368" />
+  <E value="-0.0000033062" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18198" />
+  <B value="773.31" />
+  <C value="-0.42297" />
+  <D value="0.000085563" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.325" />
+  <B value="3857.2" />
+  <C value="-54.615" />
+  <Tmin units="K"  value="399.78" />
+  <Tmax units="K"  value="579.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4735" />
+  <B value="-0.011921" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.449627E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.8208" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649982" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865347" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.342" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156604" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.004533" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.342" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156604" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="535-77-3" />
+<Smiles name="SMILES"  value="c1(C(C)C)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="524" />
+<CompoundID name="Name"  value="P-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="652" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="450.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="205.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="205.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.010391" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15749" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.376" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.557E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.799E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.3352E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="426400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9661000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03611" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7239" />
+  <B value="-0.004728" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.1" />
+  <Tmax units="K"  value="205.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44838" />
+  <B value="0.23842" />
+  <C value="653.16" />
+  <D value="0.26866" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="130.8986" />
+  <B value="-10357.88" />
+  <C value="-16.09943" />
+  <D value="9.850105E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.966039E+07" />
+  <B value="1.950064" />
+  <C value="-3.032433" />
+  <D value="2.16162" />
+  <E value="-0.588861" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-68366" />
+  <B value="2952.6" />
+  <C value="-17.388" />
+  <D value="0.036561" />
+  <E value="0.000036293" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="205.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99148" />
+  <B value="48.442" />
+  <C value="10.281" />
+  <D value="0.006034" />
+  <E value="-0.0000045515" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="450.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119360" />
+  <B value="-822.32" />
+  <C value="13.841" />
+  <D value="-0.00060036" />
+  <E value="1.8085E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.075714" />
+  <B value="-202.54" />
+  <C value="-126.35" />
+  <D value="-27689" />
+  <E value="28143" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.824" />
+  <B value="1974.9" />
+  <C value="2.8359" />
+  <D value="-0.0000010565" />
+  <E value="2" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="522.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000032148" />
+  <B value="0.32014" />
+  <C value="730.34" />
+  <D value="10237" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.018679" />
+  <B value="-10.656" />
+  <C value="-1.722" />
+  <D value="-0.0015047" />
+  <E value="-7.6885E-07" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010761" />
+  <B value="1.0275" />
+  <C value="670.75" />
+  <D value="67288" />
+  <Tmin units="K"  value="450.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040455" />
+  <B value="32.653" />
+  <C value="-2.5051" />
+  <D value="-0.00081582" />
+  <E value="-0.0000005747" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="628.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15629" />
+  <B value="759.85" />
+  <C value="-0.40811" />
+  <D value="0.000080721" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.756835" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="271.3722" />
+  <Tmax units="K"  value="441.3722" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.164" />
+  <B value="3777.4" />
+  <C value="-58.088" />
+  <Tmin units="K"  value="393.15" />
+  <Tmax units="K"  value="581.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2286" />
+  <B value="-0.0093756" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="522.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.876896E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.3111" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641258" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.860761" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15749" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000849" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15749" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-87-6" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="525" />
+<CompoundID name="Name"  value="O-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="668" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.502" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.573" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="241.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="241.929" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.04119" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3879" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.398E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.96803E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0911199" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.89535E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.41084E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="434800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.67778E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5596E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6823" />
+  <B value="-0.0039819" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.77" />
+  <Tmax units="K"  value="241.93" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52086" />
+  <B value="0.25389" />
+  <C value="668" />
+  <D value="0.28666" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.1844" />
+  <B value="-10760.78" />
+  <C value="-16.88233" />
+  <D value="0.0000109939" />
+  <E value="2" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="668" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4827E+07" />
+  <B value="-1.9073" />
+  <C value="6.1295" />
+  <D value="-6.3772" />
+  <E value="2.4857" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7349.5" />
+  <B value="982.4" />
+  <C value="-2.0447" />
+  <D value="0.0056221" />
+  <E value="-0.0000068735" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="241.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="13731" />
+  <B value="7.9227" />
+  <C value="11.237" />
+  <D value="0.004718" />
+  <E value="-0.0000037106" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122330" />
+  <B value="-723.39" />
+  <C value="13.531" />
+  <D value="-0.00028953" />
+  <E value="7.2562E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32238" />
+  <B value="-437.38" />
+  <C value="-102.19" />
+  <D value="33649" />
+  <E value="-188440" />
+  <Tmin units="K"  value="334" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.971" />
+  <B value="1608.7" />
+  <C value="0.32395" />
+  <D value="-5.0533E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8451E-08" />
+  <B value="0.84013" />
+  <C value="-72.915" />
+  <D value="24855" />
+  <Tmin units="K"  value="456.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.047218" />
+  <B value="-11.073" />
+  <C value="-1.4189" />
+  <D value="-0.00077787" />
+  <E value="-7.5252E-07" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000087851" />
+  <B value="1.0397" />
+  <C value="505.4" />
+  <D value="47466" />
+  <Tmin units="K"  value="456.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.093807" />
+  <B value="-27.232" />
+  <C value="-1.5935" />
+  <D value="-0.0015645" />
+  <E value="6.8395E-07" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1394.1" />
+  <B value="727.89" />
+  <C value="-0.38743" />
+  <D value="0.000075095" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.616" />
+  <B value="3368.2" />
+  <C value="-86.041" />
+  <Tmin units="K"  value="405.21" />
+  <Tmax units="K"  value="600.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6125" />
+  <B value="-0.013599" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501609" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.467551E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.6596" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0631774" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.884138" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3879" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15328" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.011193" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3879" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15328" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="135-01-3" />
+<Smiles name="SMILES"  value="c1(CC)c(CC)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="526" />
+<CompoundID name="Name"  value="M-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="663" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.488" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="454.252" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.23" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.259" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000664991" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156083" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.354019" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.742E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0911199" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.18E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.367E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.097E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.07091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5546E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9123" />
+  <B value="-0.0052595" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.7" />
+  <Tmax units="K"  value="189.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52578" />
+  <B value="0.25663" />
+  <C value="663" />
+  <D value="0.2955" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="153.5552" />
+  <B value="-11090.88" />
+  <C value="-19.79091" />
+  <D value="0.000016846" />
+  <E value="2" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="663" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.460804E+07" />
+  <B value="0.433681" />
+  <C value="-0.0244308" />
+  <D value="0.0154888" />
+  <E value="-0.0245419" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="663" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-15019" />
+  <B value="20.098" />
+  <C value="11.35" />
+  <D value="0.0044704" />
+  <E value="-0.0000034473" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115660" />
+  <B value="-734.22" />
+  <C value="13.598" />
+  <D value="-0.00034186" />
+  <E value="8.9326E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31772" />
+  <B value="-425.84" />
+  <C value="-99.203" />
+  <D value="-21091" />
+  <E value="370.32" />
+  <Tmin units="K"  value="331.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.504" />
+  <B value="1313.6" />
+  <C value="0.03353" />
+  <D value="-9.5074E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018496" />
+  <B value="0.38185" />
+  <C value="552.33" />
+  <D value="63.517" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.056303" />
+  <B value="5.6194" />
+  <C value="-1.5408" />
+  <D value="-0.00033118" />
+  <E value="-0.0000010873" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.25407" />
+  <B value="-0.039016" />
+  <C value="-216.19" />
+  <D value="1832400" />
+  <Tmin units="K"  value="454.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080943" />
+  <B value="39.207" />
+  <C value="-3.1114" />
+  <D value="0.00028503" />
+  <E value="-0.0000046024" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-10213" />
+  <B value="753.93" />
+  <C value="-0.40768" />
+  <D value="0.00008049" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.511" />
+  <B value="3266.1" />
+  <C value="-90.749" />
+  <Tmin units="K"  value="398.51" />
+  <Tmax units="K"  value="588.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.2888" />
+  <B value="-0.01446" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501609" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.571874E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="316.2069" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0633445" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.868204" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.354019" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01075" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.354019" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156083" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-93-5" />
+<Smiles name="SMILES"  value="c1(CC)cc(CC)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="527" />
+<CompoundID name="Name"  value="P-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="657.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2803000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4805" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230.325" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.21291" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.403" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.58E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.23E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.385E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="433100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1492" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5553E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6072" />
+  <B value="-0.0041601" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="92.13" />
+  <Tmax units="K"  value="230.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50239" />
+  <B value="0.25108" />
+  <C value="657.9" />
+  <D value="0.28806" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.74" />
+  <B value="-9636.7" />
+  <C value="-12.656" />
+  <D value="0.000006664" />
+  <E value="2" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.468714E+07" />
+  <B value="-1.551219" />
+  <C value="6.621841" />
+  <D value="-8.199596" />
+  <E value="3.486311" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7197.6" />
+  <B value="988.33" />
+  <C value="-2.1237" />
+  <D value="0.0060518" />
+  <E value="-0.0000076904" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="230.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42717" />
+  <B value="-14.138" />
+  <C value="11.106" />
+  <D value="0.0050234" />
+  <E value="-0.0000039715" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117030" />
+  <B value="-755.24" />
+  <C value="13.637" />
+  <D value="-0.00037709" />
+  <E value="9.9721E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33339" />
+  <B value="-427.85" />
+  <C value="-102.98" />
+  <D value="-24864" />
+  <E value="-4016.1" />
+  <Tmin units="K"  value="328.95" />
+  <Tmax units="K"  value="1809" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.766" />
+  <B value="1322.3" />
+  <C value="0.075076" />
+  <D value="-1.4518E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2136E-07" />
+  <B value="0.49617" />
+  <C value="343.97" />
+  <D value="-290.07" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054323" />
+  <B value="-5.9143" />
+  <C value="-1.4413" />
+  <D value="-0.00065059" />
+  <E value="-8.3255E-07" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023956" />
+  <B value="1.1969" />
+  <C value="213.51" />
+  <D value="48127" />
+  <Tmin units="K"  value="456.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.059365" />
+  <B value="-49.68" />
+  <C value="-1.6376" />
+  <D value="-0.0024385" />
+  <E value="0.000001123" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2984.9" />
+  <B value="626.67" />
+  <C value="0.03675" />
+  <D value="-0.00047692" />
+  <E value="2.3139E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.159" />
+  <B value="3770.1" />
+  <C value="-65.556" />
+  <Tmin units="K"  value="395.19" />
+  <Tmax units="K"  value="590.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1726" />
+  <B value="-0.012096" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.826599E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.7577" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.54175" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0635175" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866273" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.403" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006384" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.9778" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.403" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-05-5" />
+<Smiles name="SMILES"  value="c1(CC)ccc(CC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="530" />
+<CompoundID name="Name"  value="1,2,3,4-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="690" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="478.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="266.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="266.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.9878" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149073" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.417172" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.402E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.66E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.305E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.324E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="416500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.123E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1163" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5376E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8081" />
+  <B value="-0.0041252" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="106.76" />
+  <Tmax units="K"  value="266.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62671" />
+  <B value="0.276" />
+  <C value="690" />
+  <D value="0.30501" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.3938" />
+  <B value="-9866.6" />
+  <C value="-11.74655" />
+  <D value="5.432648E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="693" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.827737E+07" />
+  <B value="0.20659" />
+  <C value="0.354625" />
+  <D value="0.156354" />
+  <E value="-0.400825" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="66629" />
+  <B value="-379.76" />
+  <C value="9.332" />
+  <D value="-0.039854" />
+  <E value="0.000072087" />
+  <Tmin units="K"  value="91" />
+  <Tmax units="K"  value="223.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="191090" />
+  <B value="-1527.7" />
+  <C value="20.231" />
+  <D value="-0.019977" />
+  <E value="0.000019333" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="519.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108680" />
+  <B value="-536.06" />
+  <C value="13.006" />
+  <D value="0.00026578" />
+  <E value="-1.0197E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31708" />
+  <B value="-424.09" />
+  <C value="-116.37" />
+  <D value="-38824" />
+  <E value="-120.02" />
+  <Tmin units="K"  value="346.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.555" />
+  <B value="1810.8" />
+  <C value="0.0032112" />
+  <D value="-3.0199E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0975E-08" />
+  <B value="0.80432" />
+  <C value="144.14" />
+  <D value="-8326.5" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046705" />
+  <B value="-31.572" />
+  <C value="-1.2356" />
+  <D value="-0.0012463" />
+  <E value="-2.6103E-07" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001001" />
+  <B value="1.0331" />
+  <C value="653.92" />
+  <D value="21466" />
+  <Tmin units="K"  value="478.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097807" />
+  <B value="201.26" />
+  <C value="-4.2769" />
+  <D value="0.0037572" />
+  <E value="-0.0000068682" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14350" />
+  <B value="683.41" />
+  <C value="-0.34548" />
+  <D value="0.000063808" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.207" />
+  <B value="3942.9" />
+  <C value="-70.977" />
+  <Tmin units="K"  value="419.85" />
+  <Tmax units="K"  value="620" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3745" />
+  <B value="-0.013807" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.50538E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.7538" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45969" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648309" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.908473" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.417172" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149073" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005169" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84333" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.417172" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18860" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149073" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="488-23-3" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)c(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="531" />
+<CompoundID name="Name"  value="1,2,3,5-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="679" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="471.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="249.46" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="249.46" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.886139" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.151385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.459061" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.516E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18330" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.054E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.231E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.072E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.532E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.728" />
+  <B value="-0.0038845" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.78" />
+  <Tmax units="K"  value="249.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5261" />
+  <B value="0.25428" />
+  <C value="679" />
+  <D value="0.28565" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.28" />
+  <B value="-9936.6" />
+  <C value="-12.519" />
+  <D value="0.0000062754" />
+  <E value="2" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6549E+07" />
+  <B value="0.31372" />
+  <C value="0.25924" />
+  <D value="-0.3264" />
+  <E value="0.12301" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="88.391" />
+  <B value="1331.3" />
+  <C value="-5.2242" />
+  <D value="0.018095" />
+  <E value="-0.000025164" />
+  <Tmin units="K"  value="92.4" />
+  <Tmax units="K"  value="249.46" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180380" />
+  <B value="-63.604" />
+  <C value="9.2496" />
+  <D value="0.0072443" />
+  <E value="-0.0000031051" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109230" />
+  <B value="-579.21" />
+  <C value="13.116" />
+  <D value="0.00014705" />
+  <E value="-5.951E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3267" />
+  <B value="-429.83" />
+  <C value="-108.17" />
+  <D value="-65519" />
+  <E value="104920" />
+  <Tmin units="K"  value="339.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.031" />
+  <B value="1747.6" />
+  <C value="0.263" />
+  <D value="-3.7653E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7114E-07" />
+  <B value="0.50662" />
+  <C value="335.88" />
+  <D value="-402.07" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.064932" />
+  <B value="-8.9077" />
+  <C value="-1.3593" />
+  <D value="-0.00066705" />
+  <E value="-6.8372E-07" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000082384" />
+  <B value="1.0555" />
+  <C value="595.15" />
+  <D value="34335" />
+  <Tmin units="K"  value="471.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077784" />
+  <B value="249.63" />
+  <C value="-4.8091" />
+  <D value="0.0051648" />
+  <E value="-0.0000085507" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="15661" />
+  <B value="655.05" />
+  <C value="-0.30287" />
+  <D value="0.000047023" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.323" />
+  <B value="3961.7" />
+  <C value="-66.892" />
+  <Tmin units="K"  value="407.71" />
+  <Tmax units="K"  value="610" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4676" />
+  <B value="-0.013966" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.327233E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.2893" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649311" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.894741" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.46" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.151385" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.019944" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.426" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18330" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.151385" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="527-53-7" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="532" />
+<CompoundID name="Name"  value="1,2,4,5-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="676" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="470" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="352.384" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="352.384" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1784.79" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15228" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.423" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.502E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.527E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.177E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="418500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.1E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10541" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.507E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.6888" />
+  <B value="-1.9613E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65779" />
+  <B value="0.28461" />
+  <C value="677.16" />
+  <D value="0.31429" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="677.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.028" />
+  <B value="-9355.7" />
+  <C value="-10.676" />
+  <D value="0.0000049509" />
+  <E value="2" />
+  <Tmin units="K"  value="346.75" />
+  <Tmax units="K"  value="676" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.607707E+08" />
+  <B value="4.915197" />
+  <C value="-10.37671" />
+  <D value="9.303886" />
+  <E value="-3.220797" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="658.97" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1997.1" />
+  <B value="1178.3" />
+  <C value="-3.2722" />
+  <D value="0.0077475" />
+  <E value="-0.0000066937" />
+  <Tmin units="K"  value="92.2" />
+  <Tmax units="K"  value="352.38" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139940" />
+  <B value="1169.1" />
+  <C value="1.2977" />
+  <D value="0.02859" />
+  <E value="-0.000023286" />
+  <Tmin units="K"  value="352.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110940" />
+  <B value="-562.53" />
+  <C value="13.019" />
+  <D value="0.00027207" />
+  <E value="-1.0669E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33617" />
+  <B value="-444.13" />
+  <C value="-103.01" />
+  <D value="-89798" />
+  <E value="177990" />
+  <Tmin units="K"  value="337.58" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.4175" />
+  <B value="1452.8" />
+  <C value="-0.39341" />
+  <D value="2.9469E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="469.99" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2635E-07" />
+  <B value="0.49106" />
+  <C value="324.48" />
+  <D value="3435.1" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.023024" />
+  <B value="-350.01" />
+  <C value="0.1946" />
+  <D value="-0.0044419" />
+  <E value="6.7822E-07" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000066062" />
+  <B value="1.0649" />
+  <C value="306.1" />
+  <D value="93850" />
+  <Tmin units="K"  value="469.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022308" />
+  <B value="-40.303" />
+  <C value="-2.2467" />
+  <D value="-0.001602" />
+  <E value="-9.4735E-07" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="658.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27870" />
+  <B value="560.2" />
+  <C value="0.043817" />
+  <D value="-0.000406" />
+  <E value="0.0000001904" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.278" />
+  <B value="3898.8" />
+  <C value="-70.102" />
+  <Tmin units="K"  value="412.75" />
+  <Tmax units="K"  value="607.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2617" />
+  <B value="-0.0095155" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="469.99" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.75928E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.9222" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0637472" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.89203" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.423" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15228" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014791" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.423" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15228" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-93-2" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(C)c(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="576" />
+<CompoundID name="Name"  value="2-ethyl-m-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2960000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.446" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="463.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="257" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.81505" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.151424" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.405" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.415E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18140" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.623E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.379E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="421000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.471E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2603" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.548E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6854" />
+  <B value="-0.0037546" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="102.76" />
+  <Tmax units="K"  value="256.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55372" />
+  <B value="0.25979" />
+  <C value="670" />
+  <D value="0.29804" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="101.54" />
+  <B value="-9425" />
+  <C value="-11.552" />
+  <D value="0.0000057989" />
+  <E value="2" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="671" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.2672E+07" />
+  <B value="1.1027" />
+  <C value="-0.68529" />
+  <D value="-0.33367" />
+  <E value="0.36103" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23735" />
+  <B value="400.93" />
+  <C value="5.6" />
+  <D value="-0.033991" />
+  <E value="0.000064505" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="256.89" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77646" />
+  <B value="-101.26" />
+  <C value="11.392" />
+  <D value="0.0045401" />
+  <E value="-0.0000038677" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80902" />
+  <B value="-471.57" />
+  <C value="13.059" />
+  <D value="0.00022749" />
+  <E value="-9.0171E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.35368" />
+  <B value="-470.21" />
+  <C value="-86.839" />
+  <D value="-88080" />
+  <E value="193440" />
+  <Tmin units="K"  value="335" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.587" />
+  <B value="1737.4" />
+  <C value="0.54173" />
+  <D value="-0.0000007502" />
+  <E value="2" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000044354" />
+  <B value="0.29008" />
+  <C value="895.67" />
+  <D value="100.88" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038284" />
+  <B value="-32.06" />
+  <C value="-1.2755" />
+  <D value="-0.0012699" />
+  <E value="-0.0000004068" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000097738" />
+  <B value="1.031" />
+  <C value="536.66" />
+  <D value="42862" />
+  <Tmin units="K"  value="463.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0078769" />
+  <B value="272" />
+  <C value="-4.9636" />
+  <D value="0.0055943" />
+  <E value="-0.0000090797" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18638" />
+  <B value="815.63" />
+  <C value="-0.4908" />
+  <D value="0.00011128" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.219" />
+  <B value="3842.2" />
+  <C value="-66.846" />
+  <Tmin units="K"  value="406.45" />
+  <Tmax units="K"  value="600" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7285" />
+  <B value="-0.013322" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.145862E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.4512" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.0844" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649154" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.894889" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.405" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.151424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.8602" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.405" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.151424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2870-04-4" />
+<Smiles name="SMILES"  value="c1(C)c(CC)c(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="577" />
+<CompoundID name="Name"  value="2-ethyl-p-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="680" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.461" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="460.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.52" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0748611" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153715" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.36" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.579E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17610" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.218E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.273E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.519E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.543E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.829" />
+  <B value="-0.0044696" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87.81" />
+  <Tmax units="K"  value="219.52" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.15639" />
+  <B value="0.13957" />
+  <C value="680" />
+  <D value="0.19566" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="639.66" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.35796" />
+  <B value="-7093.865" />
+  <C value="-3.98884" />
+  <D value="0.0000002143" />
+  <E value="2" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="680" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.269938E+07" />
+  <B value="2.580922" />
+  <C value="-6.4761" />
+  <D value="7.125795" />
+  <E value="-2.740318" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="663" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7232.9" />
+  <B value="1019.6" />
+  <C value="-2.26" />
+  <D value="0.006668" />
+  <E value="-0.0000087976" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="219.52" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115180" />
+  <B value="-69.179" />
+  <C value="10.574" />
+  <D value="0.0065199" />
+  <E value="-0.0000055164" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34598" />
+  <B value="-446.91" />
+  <C value="-99.564" />
+  <D value="-42376" />
+  <E value="51770" />
+  <Tmin units="K"  value="331.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.139" />
+  <B value="1509" />
+  <C value="0.050995" />
+  <D value="-2.3531E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010483" />
+  <B value="0.4491" />
+  <C value="412.22" />
+  <D value="-1561.4" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.080449" />
+  <B value="4.7926" />
+  <C value="-1.4191" />
+  <D value="-0.00032019" />
+  <E value="-9.3368E-07" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000085732" />
+  <B value="1.0445" />
+  <C value="516.18" />
+  <D value="46622" />
+  <Tmin units="K"  value="459.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025429" />
+  <B value="29.001" />
+  <C value="-2.5612" />
+  <D value="-0.001025" />
+  <E value="-0.0000010416" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="663" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3588.7" />
+  <C value="-79.823" />
+  <Tmin units="K"  value="413.35" />
+  <Tmax units="K"  value="600" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3451" />
+  <B value="-0.014201" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.535834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.7879" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0654917" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.881517" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.36" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153715" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.36" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153715" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1758-88-9" />
+<Smiles name="SMILES"  value="c1(C)c(CC)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="578" />
+<CompoundID name="Name"  value="4-ethyl-m-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="665" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2850000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.456" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="461.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="210" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="210.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0181496" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153864" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.409" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.543E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17650" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.08E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.286E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.293E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.544E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8871" />
+  <B value="-0.0047021" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="84.11" />
+  <Tmax units="K"  value="210.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53184" />
+  <B value="0.25635" />
+  <C value="665" />
+  <D value="0.29535" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.6" />
+  <B value="-9849.7" />
+  <C value="-12.73" />
+  <D value="0.0000063582" />
+  <E value="2" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="665" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.586476E+07" />
+  <B value="0.958711" />
+  <C value="-1.952194" />
+  <D value="2.240006" />
+  <E value="-0.865941" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="665" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95699" />
+  <B value="-84.431" />
+  <C value="11.066" />
+  <D value="0.0051032" />
+  <E value="-0.0000041785" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33624" />
+  <B value="-432.23" />
+  <C value="-105.71" />
+  <D value="-27857" />
+  <E value="4073.5" />
+  <Tmin units="K"  value="332.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.665" />
+  <B value="1419.5" />
+  <C value="0.18354" />
+  <D value="-0.0000003451" />
+  <E value="2" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000037216" />
+  <B value="0.29591" />
+  <C value="752.65" />
+  <D value="-7.7443" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081171" />
+  <B value="5.0587" />
+  <C value="-1.4195" />
+  <D value="-0.00031748" />
+  <E value="-9.1756E-07" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083547" />
+  <B value="1.0482" />
+  <C value="520.64" />
+  <D value="45100" />
+  <Tmin units="K"  value="461.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015347" />
+  <B value="66.34" />
+  <C value="-3.091" />
+  <D value="0.00031864" />
+  <E value="-0.0000032686" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.128" />
+  <B value="3744.2" />
+  <C value="-71.727" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="593.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5864" />
+  <B value="-0.013635" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.544402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.6126" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648944" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880761" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.409" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153864" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.409" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17650" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153864" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="874-41-9" />
+<Smiles name="SMILES"  value="c1(CC)c(C)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="579" />
+<CompoundID name="Name"  value="4-ethyl-o-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="666" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.452" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="462.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00343448" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154172" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.42" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17990" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.209E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.274E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.205E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.11" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.542E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8776" />
+  <B value="-0.0047766" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.49" />
+  <Tmax units="K"  value="206.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54664" />
+  <B value="0.26088" />
+  <C value="666" />
+  <D value="0.29186" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.694" />
+  <B value="-9142.9" />
+  <C value="-10.852" />
+  <D value="0.0000055519" />
+  <E value="2" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3714E+07" />
+  <B value="-2.7554" />
+  <C value="9.4578" />
+  <D value="-11.023" />
+  <E value="4.6307" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="666" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89767" />
+  <B value="-77.889" />
+  <C value="11.113" />
+  <D value="0.0049399" />
+  <E value="-0.0000039958" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37792" />
+  <B value="-498.77" />
+  <C value="-87.527" />
+  <D value="-88381" />
+  <E value="187860" />
+  <Tmin units="K"  value="333" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.1159" />
+  <B value="1410.6" />
+  <C value="-0.43411" />
+  <D value="7.8135E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.8567E-07" />
+  <B value="0.52279" />
+  <C value="312.52" />
+  <D value="-1851" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061613" />
+  <B value="4.0176" />
+  <C value="-1.4936" />
+  <D value="-0.00037218" />
+  <E value="-9.9721E-07" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083697" />
+  <B value="1.0475" />
+  <C value="520.73" />
+  <D value="45665" />
+  <Tmin units="K"  value="462.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021075" />
+  <B value="39.933" />
+  <C value="-2.7814" />
+  <D value="-0.00042216" />
+  <E value="-0.0000020214" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.317" />
+  <B value="3913.1" />
+  <C value="-63.321" />
+  <Tmin units="K"  value="400.23" />
+  <Tmax units="K"  value="594.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0327" />
+  <B value="-0.015022" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.415788E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.1763" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648412" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.878797" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154172" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17990" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154172" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="934-80-5" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(CC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="586" />
+<CompoundID name="Name"  value="1-methyl-3-n-propylbenzene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="656" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.57" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000721452" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156623" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412785" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.794E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.414E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.352E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5516E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.0174" />
+  <B value="-0.0059147" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.23" />
+  <Tmax units="K"  value="190.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18222" />
+  <B value="0.15152" />
+  <C value="656" />
+  <D value="0.20178" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.4588" />
+  <B value="-9508.773" />
+  <C value="-12.48918" />
+  <D value="6.776919E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.194565E+07" />
+  <B value="0.0524158" />
+  <C value="1.088831" />
+  <D value="-1.22236" />
+  <E value="0.439479" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="656" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156110" />
+  <B value="-38.093" />
+  <C value="10.159" />
+  <D value="0.0050313" />
+  <E value="-0.0000015247" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="490.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97127" />
+  <B value="-599.11" />
+  <C value="13.273" />
+  <D value="0.000011665" />
+  <E value="-1.9003E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34716" />
+  <B value="-445.08" />
+  <C value="-93.628" />
+  <D value="-50591" />
+  <E value="81753" />
+  <Tmin units="K"  value="327" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.301" />
+  <B value="1601.4" />
+  <C value="0.91018" />
+  <D value="-0.0000014707" />
+  <E value="2" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.3681E-08" />
+  <B value="0.81524" />
+  <C value="130.94" />
+  <D value="-9552" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074198" />
+  <B value="4.023" />
+  <C value="-1.4364" />
+  <D value="-0.00042252" />
+  <E value="-0.0000008562" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="454.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083513" />
+  <B value="1.0517" />
+  <C value="570.8" />
+  <D value="33790" />
+  <Tmin units="K"  value="454.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0086511" />
+  <B value="61.14" />
+  <C value="-3.1888" />
+  <D value="0.0004569" />
+  <E value="-0.0000046729" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26053" />
+  <B value="805.01" />
+  <C value="-0.46803" />
+  <D value="0.00010355" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.2" />
+  <B value="3779.7" />
+  <C value="-64.304" />
+  <Tmin units="K"  value="395" />
+  <Tmax units="K"  value="590" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1694" />
+  <B value="-0.011417" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.75928E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.1671" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0643271" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865762" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412785" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156623" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412785" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156623" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1074-43-7" />
+<Smiles name="SMILES"  value="c1(C)cc(CCC)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="587" />
+<CompoundID name="Name"  value="1-methyl-4-n-propylbenzene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.455" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0171898" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.157097" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.413441" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.599E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.314E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.382E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="430400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.151E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8857" />
+  <B value="-0.0053004" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.82" />
+  <Tmax units="K"  value="209.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48219" />
+  <B value="0.24259" />
+  <C value="658" />
+  <D value="0.32531" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="632.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.2332" />
+  <B value="-9321.423" />
+  <C value="-11.85346" />
+  <D value="6.228128E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9632E+07" />
+  <B value="-0.13089" />
+  <C value="1.5769" />
+  <D value="-1.8325" />
+  <E value="0.74608" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="658" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128960" />
+  <B value="-102.23" />
+  <C value="11.269" />
+  <D value="0.0022913" />
+  <E value="5.0742E-07" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="492" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97127" />
+  <B value="-599.11" />
+  <C value="13.273" />
+  <D value="0.000011665" />
+  <E value="-1.9003E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34983" />
+  <B value="-450.15" />
+  <C value="-93.925" />
+  <D value="-54544" />
+  <E value="91978" />
+  <Tmin units="K"  value="328" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-65.00531" />
+  <B value="3273.06" />
+  <C value="8.413079" />
+  <D value="-0.0000101347" />
+  <E value="2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8653E-08" />
+  <B value="0.80621" />
+  <C value="137.95" />
+  <D value="-9253.2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081049" />
+  <B value="3.2759" />
+  <C value="-1.4026" />
+  <D value="-0.00043634" />
+  <E value="-7.9035E-07" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="456.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083347" />
+  <B value="1.0517" />
+  <C value="573.97" />
+  <D value="33136" />
+  <Tmin units="K"  value="456.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.19472" />
+  <B value="-2.8463" />
+  <C value="-1.2726" />
+  <D value="-0.000855" />
+  <E value="4.6239E-07" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26053" />
+  <B value="805.01" />
+  <C value="-0.46803" />
+  <D value="0.00010355" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.139" />
+  <B value="3767" />
+  <C value="-64.622" />
+  <Tmin units="K"  value="397.53" />
+  <Tmax units="K"  value="590" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.52" />
+  <B value="-0.010859" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.79684E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.8998" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648127" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863678" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.413441" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.157097" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.413441" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.157097" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1074-55-1" />
+<Smiles name="SMILES"  value="c1(C)ccc(CCC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="544" />
+<CompoundID name="Name"  value="P-diisopropylbenzene" />
+<StructureFormula name="Structure"  value="(CH3)2CH(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="675" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.584" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="483.52" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.08" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.08" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.697953" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="162.271" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.190236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.476415" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.178E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16930" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.101" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.404E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.76E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.47804E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="488000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3262" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.77E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.9021" />
+  <B value="-0.0029994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="102.43" />
+  <Tmax units="K"  value="256.08" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77801" />
+  <B value="0.34547" />
+  <C value="675" />
+  <D value="0.38736" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.6259" />
+  <B value="-10711.76" />
+  <C value="-14.56272" />
+  <D value="8.944308E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="689" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.572101E+07" />
+  <B value="2.166143" />
+  <C value="-4.616074" />
+  <D value="4.777254" />
+  <E value="-1.852374" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34130" />
+  <B value="321.92" />
+  <C value="9.2079" />
+  <D value="-0.053989" />
+  <E value="0.00010157" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="256.08" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-70570" />
+  <B value="94.476" />
+  <C value="11.349" />
+  <D value="0.0048258" />
+  <E value="-0.0000034771" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100830" />
+  <B value="-531.56" />
+  <C value="13.456" />
+  <D value="0.000043333" />
+  <E value="-2.4118E-08" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34296" />
+  <B value="-577.3" />
+  <C value="-147.03" />
+  <D value="-140880" />
+  <E value="339020" />
+  <Tmin units="K"  value="344.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9912" />
+  <B value="1148.7" />
+  <C value="-0.35833" />
+  <D value="4.6037E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0354E-07" />
+  <B value="0.48062" />
+  <C value="391.1" />
+  <D value="176.97" />
+  <Tmin units="K"  value="483.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043466" />
+  <B value="-14.777" />
+  <C value="-1.4776" />
+  <D value="-0.00080068" />
+  <E value="-0.0000006904" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.31596" />
+  <B value="-0.074042" />
+  <C value="-318.59" />
+  <D value="1928600" />
+  <Tmin units="K"  value="483.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01271" />
+  <B value="60.745" />
+  <C value="-3.2229" />
+  <D value="0.00049535" />
+  <E value="-0.0000035281" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-44517" />
+  <B value="1071.8" />
+  <C value="-0.66372" />
+  <D value="0.00015645" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.599" />
+  <B value="3490" />
+  <C value="-98.353" />
+  <Tmin units="K"  value="407.05" />
+  <Tmax units="K"  value="597.86" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.216" />
+  <B value="-0.0097312" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563273" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.001313E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.4983" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="214.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.118" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0776962" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.861206" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.390023" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.190236" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.3538" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.688" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.022869" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.0168" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.390023" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.190236" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-18-5" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccc(C(C)C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1054" />
+<CompoundID name="Name"  value="Methyl isobutyl ketone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="574.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3270000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3406" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="389.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0698742" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12581" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.352" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.828E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06972" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.88E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.351E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="407000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9710000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.393" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.49E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.236" />
+  <B value="-0.0065382" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.66" />
+  <Tmax units="K"  value="189.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.70438" />
+  <B value="0.26215" />
+  <C value="574.6" />
+  <D value="0.2872" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="151.9969" />
+  <B value="-9958.63" />
+  <C value="-19.68914" />
+  <D value="0.0000167819" />
+  <E value="2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7929E+07" />
+  <B value="-4.5647" />
+  <C value="14.372" />
+  <D value="-16.097" />
+  <E value="6.5387" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2120" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="189.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93433" />
+  <B value="-8.9197" />
+  <C value="10.885" />
+  <D value="0.0029916" />
+  <E value="-6.6769E-07" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97540" />
+  <B value="-634.68" />
+  <C value="12.939" />
+  <D value="0.000018497" />
+  <E value="-1.9665E-08" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26403" />
+  <B value="-313.96" />
+  <C value="-40.054" />
+  <D value="-41014" />
+  <E value="79808" />
+  <Tmin units="K"  value="287.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5441" />
+  <B value="1138.8" />
+  <C value="-0.34128" />
+  <D value="0.0000016581" />
+  <E value="2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="389.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9033E-07" />
+  <B value="0.63516" />
+  <C value="190.41" />
+  <D value="3013.2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.05085" />
+  <B value="-96.32" />
+  <C value="-0.95078" />
+  <D value="-0.0031661" />
+  <E value="-0.0000020547" />
+  <Tmin units="K"  value="171.42" />
+  <Tmax units="K"  value="451.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-874190" />
+  <B value="0.020464" />
+  <C value="1.7911E+07" />
+  <D value="-8.1274E+12" />
+  <Tmin units="K"  value="276.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0053825" />
+  <B value="238.91" />
+  <C value="-5.4341" />
+  <D value="0.0080583" />
+  <E value="-0.000014754" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10053" />
+  <B value="541.95" />
+  <C value="-0.29513" />
+  <D value="0.000061306" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.464" />
+  <B value="3468.2" />
+  <C value="-40.674" />
+  <Tmin units="K"  value="348.15" />
+  <Tmax units="K"  value="513.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8866" />
+  <B value="-0.015149" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="389.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375279" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.685059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="277.9347" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.0405" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492845" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805767" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.352" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12581" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="6.4011" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.352" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12581" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-10-1" />
+<Smiles name="SMILES"  value="CC(C)CC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1057" />
+<CompoundID name="Name"  value="3-heptanone" />
+<StructureFormula name="Structure"  value="CH3(CH2)3COC2H5" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3010000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="420.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.29921" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140257" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.539E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.01E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.196E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.81E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.13085" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.098E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.6961" />
+  <B value="-0.0051762" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="93.66" />
+  <Tmax units="K"  value="234.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65544" />
+  <B value="0.26958" />
+  <C value="605" />
+  <D value="0.29059" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.93996" />
+  <B value="-7156.968" />
+  <C value="-5.201278" />
+  <D value="1.288938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="606.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.726896E+07" />
+  <B value="0.830475" />
+  <C value="-1.256385" />
+  <D value="1.592723" />
+  <E value="-0.756362" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2320" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="215140" />
+  <B value="447.78" />
+  <C value="3.9106" />
+  <D value="0.020539" />
+  <E value="-0.000013511" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122140" />
+  <B value="-668.77" />
+  <C value="13.117" />
+  <D value="-0.0000064986" />
+  <E value="-3.4969E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29056" />
+  <B value="-339.49" />
+  <C value="-76.497" />
+  <D value="-41160" />
+  <E value="60961" />
+  <Tmin units="K"  value="303.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.982" />
+  <B value="1284.2" />
+  <C value="0.095491" />
+  <D value="-8.1894E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="421.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4757E-07" />
+  <B value="0.71999" />
+  <C value="184.44" />
+  <D value="-6805" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.025728" />
+  <B value="-61.893" />
+  <C value="-0.97852" />
+  <D value="-0.0021604" />
+  <E value="1.2683E-07" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1201.8" />
+  <B value="1.0398" />
+  <C value="1.4113E+10" />
+  <D value="-9.6162E+10" />
+  <Tmin units="K"  value="420.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011218" />
+  <B value="48.92" />
+  <C value="-3.2612" />
+  <D value="0.00080836" />
+  <E value="-0.0000049917" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35513" />
+  <B value="545.55" />
+  <C value="-0.2495" />
+  <D value="0.000035433" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.049" />
+  <B value="3293.7" />
+  <C value="-74.523" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="540" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2585" />
+  <B value="-0.012873" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="421.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.34622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.5799" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.055992" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.823035" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407565" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140257" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407565" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-35-4" />
+<Smiles name="SMILES"  value="CCC(=O)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1058" />
+<CompoundID name="Name"  value="4-heptanone" />
+<StructureFormula name="Structure"  value="(CH3CH2CH2)2CO" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="595" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.95766" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140625" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.471409" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.567E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.01E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.196E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.86E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.18" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.09E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.6566" />
+  <B value="-0.0050159" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.26" />
+  <Tmax units="K"  value="240.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78297" />
+  <B value="0.29215" />
+  <C value="595" />
+  <D value="0.33209" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.5579" />
+  <B value="-9310.284" />
+  <C value="-14.85267" />
+  <D value="0.000010781" />
+  <E value="2" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.630562E+07" />
+  <B value="0.51436" />
+  <C value="0.600897" />
+  <D value="-1.414428" />
+  <E value="0.688564" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2320" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="240.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="209750" />
+  <B value="222.65" />
+  <C value="6.403" />
+  <D value="0.014092" />
+  <E value="-0.0000084677" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121670" />
+  <B value="-659.01" />
+  <C value="13.093" />
+  <D value="0.000016432" />
+  <E value="-4.1637E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12631" />
+  <B value="-98.502" />
+  <C value="-131.43" />
+  <D value="74661" />
+  <E value="-250200" />
+  <Tmin units="K"  value="287.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.013" />
+  <B value="1989.1" />
+  <C value="2.6786" />
+  <D value="-0.0000019943" />
+  <E value="2" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5516E-07" />
+  <B value="0.71327" />
+  <C value="190.48" />
+  <D value="-6907.5" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.084176" />
+  <B value="-5.3333" />
+  <C value="-1.1753" />
+  <D value="-0.00094427" />
+  <E value="-3.0728E-07" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2007.9" />
+  <B value="1.0403" />
+  <C value="2.325E+10" />
+  <D value="-1.556E+11" />
+  <Tmin units="K"  value="417.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.009316" />
+  <B value="8.2096" />
+  <C value="-3.0266" />
+  <D value="0.00040508" />
+  <E value="-0.0000054492" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="36724" />
+  <B value="544.28" />
+  <C value="-0.2504" />
+  <D value="0.000036307" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.21128" />
+  <B value="-5950" />
+  <C value="-35.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.277" />
+  <B value="3488.9" />
+  <C value="-59.687" />
+  <Tmin units="K"  value="358.41" />
+  <Tmax units="K"  value="529.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4939" />
+  <B value="-0.012328" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.276587E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.8443" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559243" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.821925" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.471409" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140625" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.411976" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17410" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140625" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-19-3" />
+<Smiles name="SMILES"  value="CCCC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1059" />
+<CompoundID name="Name"  value="3-hexanone" />
+<StructureFormula name="Structure"  value="CH3CH2CH2COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="396.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="215" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.22016" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12343" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.38" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.009E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.777E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.253E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="409200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.11E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.04843" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.492E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.108" />
+  <B value="-0.0055955" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87" />
+  <Tmax units="K"  value="217.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60844" />
+  <B value="0.24303" />
+  <C value="582.83" />
+  <D value="0.26177" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="582.82" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.4591" />
+  <B value="-8520.55" />
+  <C value="-13.01531" />
+  <D value="9.019631E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="582.82" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.134266E+07" />
+  <B value="-0.294625" />
+  <C value="1.94188" />
+  <D value="-1.96318" />
+  <E value="0.653572" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="563.59" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4123.3" />
+  <B value="428.48" />
+  <C value="26.855" />
+  <D value="-0.35338" />
+  <E value="0.0013463" />
+  <Tmin units="K"  value="12.52" />
+  <Tmax units="K"  value="140.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="185400" />
+  <B value="578.77" />
+  <C value="3.0261" />
+  <D value="0.02276" />
+  <E value="-0.000015777" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108160" />
+  <B value="-675.23" />
+  <C value="12.973" />
+  <D value="-0.000036372" />
+  <E value="-1.5789E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21084" />
+  <B value="-230.63" />
+  <C value="-67.335" />
+  <D value="-10006" />
+  <E value="-4827.2" />
+  <Tmin units="K"  value="291.41" />
+  <Tmax units="K"  value="1863.41" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.119" />
+  <B value="957.18" />
+  <C value="-1.3764" />
+  <D value="0.0000033013" />
+  <E value="2" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="396.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7969E-07" />
+  <B value="0.70065" />
+  <C value="200.48" />
+  <D value="-7668.6" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0083801" />
+  <B value="80.808" />
+  <C value="-2.2377" />
+  <D value="0.00083175" />
+  <E value="-0.0000033028" />
+  <Tmin units="K"  value="174.85" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.24291" />
+  <B value="0.11759" />
+  <C value="-2306.6" />
+  <D value="-3681900" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.034741" />
+  <B value="-20.897" />
+  <C value="-2.185" />
+  <D value="-0.0017942" />
+  <E value="-3.1071E-07" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="563.59" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="77799" />
+  <B value="112.29" />
+  <C value="0.72627" />
+  <D value="-0.00099092" />
+  <E value="3.9161E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.27517" />
+  <B value="-7300" />
+  <C value="-43.8" />
+  <Tmin units="K"  value="269.15" />
+  <Tmax units="K"  value="439.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.18" />
+  <B value="3255.7" />
+  <C value="-59.439" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2945" />
+  <B value="-0.013514" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="396.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.921299E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.901" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492727" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.819086" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.38" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12343" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.38" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12343" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-38-8" />
+<Smiles name="SMILES"  value="CCC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1060" />
+<CompoundID name="Name"  value="2-pentanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.301" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="196.29" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="196.29" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.752347" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10733" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.346" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.618E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.592E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.384E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="378600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.062E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9943" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.88E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.184" />
+  <B value="-0.0073973" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.52" />
+  <Tmax units="K"  value="196.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8193" />
+  <B value="0.25958" />
+  <C value="561.1" />
+  <D value="0.28941" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.01772" />
+  <B value="-7341.876" />
+  <C value="-10.45756" />
+  <D value="7.61086E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.074187E+07" />
+  <B value="1.097819" />
+  <C value="-1.350154" />
+  <D value="0.926065" />
+  <E value="-0.25017" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21075" />
+  <B value="1836.3" />
+  <C value="-11.412" />
+  <D value="0.033399" />
+  <E value="-0.0000064676" />
+  <Tmin units="K"  value="20.74" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119520" />
+  <B value="155.09" />
+  <C value="9.2758" />
+  <D value="0.0038398" />
+  <E value="0.0000015236" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86927" />
+  <B value="-727.52" />
+  <C value="12.986" />
+  <D value="-0.00023161" />
+  <E value="6.926E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25359" />
+  <B value="-304.06" />
+  <C value="-23.005" />
+  <D value="-48839" />
+  <E value="104690" />
+  <Tmin units="K"  value="280.54" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4812" />
+  <B value="921.84" />
+  <C value="-0.40943" />
+  <D value="6.8984E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="375.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4641E-07" />
+  <B value="0.66525" />
+  <C value="208.96" />
+  <D value="-62.76" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010889" />
+  <B value="-36.658" />
+  <C value="-1.2206" />
+  <D value="-0.0022413" />
+  <E value="-2.5211E-07" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.017912" />
+  <B value="0.4825" />
+  <C value="-3887.7" />
+  <D value="-1296300" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03956" />
+  <B value="2.1919" />
+  <C value="-2.4093" />
+  <D value="-0.0008791" />
+  <E value="-0.0000010614" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="65152" />
+  <B value="75.254" />
+  <C value="0.6704" />
+  <D value="-0.00090187" />
+  <E value="3.5611E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.291" />
+  <B value="3150.2" />
+  <C value="-52.754" />
+  <Tmin units="K"  value="339.46" />
+  <Tmax units="K"  value="503.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6033" />
+  <B value="-0.010188" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="375.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.317875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.001774E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="208.7519" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042749" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.812771" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10733" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10733" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-87-9" />
+<Smiles name="SMILES"  value="CC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1062" />
+<CompoundID name="Name"  value="2-hexanone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH2CH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="400.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="217.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.44559" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1241" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.093E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.79826E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.30081E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="417856" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.49E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.06376" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.49E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.083" />
+  <B value="-0.0056905" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.94" />
+  <Tmax units="K"  value="217.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58528" />
+  <B value="0.23872" />
+  <C value="587.62" />
+  <D value="0.26191" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="587.61" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.22606" />
+  <B value="-7467.987" />
+  <C value="-8.650385" />
+  <D value="4.736711E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="587.61" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.140665E+07" />
+  <B value="1.724728" />
+  <C value="-1.991428" />
+  <D value="0.65901" />
+  <E value="0.10235" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="568.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5223.7" />
+  <B value="839.15" />
+  <C value="4.7323" />
+  <D value="-0.068211" />
+  <E value="0.00021333" />
+  <Tmin units="K"  value="39.76" />
+  <Tmax units="K"  value="217.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="171430" />
+  <B value="304.46" />
+  <C value="6.7554" />
+  <D value="0.010928" />
+  <E value="-0.0000044198" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101950" />
+  <B value="-647" />
+  <C value="12.874" />
+  <D value="0.00017699" />
+  <E value="-1.3836E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24744" />
+  <B value="-284.68" />
+  <C value="-57.772" />
+  <D value="-30750" />
+  <E value="48339" />
+  <Tmin units="K"  value="293.8" />
+  <Tmax units="K"  value="1877.53" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5407" />
+  <B value="1129.1" />
+  <C value="-0.30673" />
+  <D value="6.1273E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7562E-07" />
+  <B value="0.7037" />
+  <C value="196.23" />
+  <D value="-7085.8" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0056603" />
+  <B value="-27.398" />
+  <C value="-1.2811" />
+  <D value="-0.0017572" />
+  <E value="-3.9285E-07" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.96934" />
+  <B value="0.03859" />
+  <C value="-1883.3" />
+  <D value="-1.1142E+07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081399" />
+  <B value="117.23" />
+  <C value="-3.9614" />
+  <D value="0.003099" />
+  <E value="-0.0000084515" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="568.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="76044" />
+  <B value="72.344" />
+  <C value="0.89264" />
+  <D value="-0.0012053" />
+  <E value="4.7958E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.044" />
+  <B value="3173.6" />
+  <C value="-67.224" />
+  <Tmin units="K"  value="353.76" />
+  <Tmax units="K"  value="525" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3896" />
+  <B value="-0.013212" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.986748E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="276.0277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492648" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81617" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.393" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1241" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.393" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17600" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1241" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-78-6" />
+<Smiles name="SMILES"  value="CC(=O)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1063" />
+<CompoundID name="Name"  value="2-heptanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)4CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="611.55" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="424.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="238.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="238.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.54477" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140675" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.418982" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.498E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.71E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.00453E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.21796E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="456893" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.84E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1875" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.09952E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.5843" />
+  <B value="-0.0044928" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="95.26" />
+  <Tmax units="K"  value="238.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42296" />
+  <B value="0.21673" />
+  <C value="611.55" />
+  <D value="0.2517" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.1321" />
+  <B value="-8934.299" />
+  <C value="-12.02629" />
+  <D value="6.758209E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.522658E+07" />
+  <B value="0.472207" />
+  <C value="0.238382" />
+  <D value="-0.54369" />
+  <E value="0.222217" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7238.3" />
+  <B value="975.88" />
+  <C value="-2.0519" />
+  <D value="0.0057069" />
+  <E value="-0.000007064" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="238.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="168580" />
+  <B value="759.37" />
+  <C value="3.3604" />
+  <D value="0.023088" />
+  <E value="-0.000017848" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="490" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119760" />
+  <B value="-702.71" />
+  <C value="13.229" />
+  <D value="-0.000074262" />
+  <E value="-4.5595E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28693" />
+  <B value="-334.98" />
+  <C value="-80.089" />
+  <D value="-38529" />
+  <E value="52793" />
+  <Tmin units="K"  value="305.7" />
+  <Tmax units="K"  value="1955.78" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5709" />
+  <B value="1186.6" />
+  <C value="-0.30187" />
+  <D value="0.0000013185" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="424.18" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5766E-07" />
+  <B value="0.71212" />
+  <C value="201.61" />
+  <D value="-8396.4" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061916" />
+  <B value="-162.99" />
+  <C value="-0.59984" />
+  <D value="-0.0044095" />
+  <E value="-0.0000013415" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="424.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2047.3" />
+  <B value="1.0324" />
+  <C value="2.297E+10" />
+  <D value="7.8096E+08" />
+  <Tmin units="K"  value="424.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.006816" />
+  <B value="130.1" />
+  <C value="-4.0853" />
+  <D value="0.0033192" />
+  <E value="-0.0000084854" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="53177" />
+  <B value="423.37" />
+  <C value="-0.032339" />
+  <D value="-0.000077198" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.272" />
+  <B value="-5975" />
+  <C value="-35.85" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.063" />
+  <B value="3363.5" />
+  <C value="-71.468" />
+  <Tmin units="K"  value="367" />
+  <Tmax units="K"  value="550" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9476" />
+  <B value="-0.010818" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="424.18" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.34622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.531" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64789" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563666" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.820117" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.418982" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140675" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.3304" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.418982" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17400" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140675" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-43-0" />
+<Smiles name="SMILES"  value="CC(=O)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1064" />
+<CompoundID name="Name"  value="5-methyl-2-hexanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="601" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0241997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141298" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.434398" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.329E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17740" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07995" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.123E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.04E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.22E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="446000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.1E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8634" />
+  <B value="-0.0054919" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.7" />
+  <Tmax units="K"  value="199.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59436" />
+  <B value="0.2568" />
+  <C value="601" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="114.12" />
+  <B value="-9180" />
+  <C value="-13.613" />
+  <D value="0.0000087656" />
+  <E value="2" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.005371E+07" />
+  <B value="1.17745" />
+  <C value="-0.708374" />
+  <D value="-0.221424" />
+  <E value="0.184955" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="195490" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="601" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125240" />
+  <B value="163.14" />
+  <C value="9.1111" />
+  <D value="0.0074883" />
+  <E value="-0.0000035144" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96832" />
+  <B value="-530.6" />
+  <C value="12.878" />
+  <D value="0.00028483" />
+  <E value="-1.1552E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23033" />
+  <B value="-274.58" />
+  <C value="-81.341" />
+  <D value="-10255" />
+  <E value="-37295" />
+  <Tmin units="K"  value="300.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.292" />
+  <B value="1388.7" />
+  <C value="0.61336" />
+  <D value="-0.0000015372" />
+  <E value="2" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5504E-07" />
+  <B value="0.6089" />
+  <C value="292.03" />
+  <D value="-90.104" />
+  <Tmin units="K"  value="417.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.18233" />
+  <B value="17.124" />
+  <C value="-1.0595" />
+  <D value="-0.000040298" />
+  <E value="-9.9547E-07" />
+  <Tmin units="K"  value="180.3" />
+  <Tmax units="K"  value="480.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1467.4" />
+  <B value="1.0438" />
+  <C value="1.713E+10" />
+  <D value="-1.5385E+11" />
+  <Tmin units="K"  value="417.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010301" />
+  <B value="67.628" />
+  <C value="-3.3971" />
+  <D value="0.0010921" />
+  <E value="-0.0000054599" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3468.2" />
+  <B value="653.98" />
+  <C value="-0.36734" />
+  <D value="0.000079674" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.70264" />
+  <B value="-6550" />
+  <C value="-39.3" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.335" />
+  <B value="3511.9" />
+  <C value="-59.958" />
+  <Tmin units="K"  value="367.25" />
+  <Tmax units="K"  value="537.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5869" />
+  <B value="-0.015027" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434528" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.381495E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.9142" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563476" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.816947" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.434398" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141298" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2703" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.492" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.434398" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141298" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-12-3" />
+<Smiles name="SMILES"  value="CC(=O)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1066" />
+<CompoundID name="Name"  value="3,3-dimethyl-2-butanone" />
+<StructureFormula name="Structure"  value="(CH3)3CCOCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3470000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="14.4334" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.124869" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.327309" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.643E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06971" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.008E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.905E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.307E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="384400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.133E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08969" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.4837E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="11.11" />
+  <B value="-0.0062798" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="88.46" />
+  <Tmax units="K"  value="221.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.050005" />
+  <B value="0.070782" />
+  <C value="567" />
+  <D value="0.11676" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.48771" />
+  <B value="-7385.263" />
+  <C value="-10.71444" />
+  <D value="7.878115E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0163E+07" />
+  <B value="0.36416" />
+  <C value="-0.10654" />
+  <D value="0.27936" />
+  <E value="-0.16414" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12892" />
+  <B value="1715.9" />
+  <C value="-11.85" />
+  <D value="0.049444" />
+  <E value="-0.000066905" />
+  <Tmin units="K"  value="11.42" />
+  <Tmax units="K"  value="215.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="154180" />
+  <B value="195.77" />
+  <C value="7.7152" />
+  <D value="0.0092036" />
+  <E value="-0.0000029177" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104260" />
+  <B value="-866.95" />
+  <C value="13.572" />
+  <D value="-0.00063607" />
+  <E value="2.0716E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21862" />
+  <B value="-246.98" />
+  <C value="-51.298" />
+  <D value="-13508" />
+  <E value="12998" />
+  <Tmin units="K"  value="282" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.254" />
+  <B value="1373.2" />
+  <C value="1.3346" />
+  <D value="-0.0000032641" />
+  <E value="2" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="379.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8869E-07" />
+  <B value="0.70026" />
+  <C value="190.78" />
+  <D value="-6542.3" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15399" />
+  <B value="9.8963" />
+  <C value="-1.0886" />
+  <D value="-0.00030883" />
+  <E value="-9.2007E-07" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1744.4" />
+  <B value="1.0305" />
+  <C value="1.6872E+10" />
+  <D value="-1.3896E+11" />
+  <Tmin units="K"  value="379.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051063" />
+  <B value="135.01" />
+  <C value="-4.5681" />
+  <D value="0.0055635" />
+  <E value="-0.000012777" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1641.8" />
+  <B value="551.82" />
+  <C value="-0.27948" />
+  <D value="0.000048732" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.806" />
+  <B value="2939.8" />
+  <C value="-62.476" />
+  <Tmin units="K"  value="343.57" />
+  <Tmax units="K"  value="509.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2054" />
+  <B value="-0.013548" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="379.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375222" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.702327E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.0371" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.91793" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479897" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.810203" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.327309" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.124869" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5952" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.032" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.11079" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.327309" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16920" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124869" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-97-8" />
+<Smiles name="SMILES"  value="CC(=O)C(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1068" />
+<CompoundID name="Name"  value="Diisobutyl ketone" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2COCH2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="620" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.522" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="441.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="227" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="227.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.249815" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.177418" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.511608" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.614E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1004" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.392E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.576E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.13E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="509000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.31E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.6183" />
+  <B value="-0.0037318" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="90.87" />
+  <Tmax units="K"  value="227.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.3783" />
+  <B value="0.23231" />
+  <C value="620" />
+  <D value="0.24664" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="594.59" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="122.1783" />
+  <B value="-10064.3" />
+  <C value="-14.70184" />
+  <D value="8.652147E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9161E+07" />
+  <B value="-1.6509" />
+  <C value="5.8937" />
+  <D value="-6.6307" />
+  <E value="2.7354" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9143.1" />
+  <B value="1265" />
+  <C value="-2.7426" />
+  <D value="0.0078943" />
+  <E value="-0.000010141" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="227.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85834" />
+  <B value="-102.6" />
+  <C value="11.702" />
+  <D value="0.0033978" />
+  <E value="-0.0000021321" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="457.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118320" />
+  <B value="-505.35" />
+  <C value="13.11" />
+  <D value="0.00028036" />
+  <E value="-1.0389E-07" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.35808" />
+  <B value="-394.11" />
+  <C value="-102.92" />
+  <D value="-39523" />
+  <E value="59420" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-74.692" />
+  <B value="4018.6" />
+  <C value="9.6018" />
+  <D value="-0.0000061216" />
+  <E value="2" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="492" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3916E-07" />
+  <B value="0.72063" />
+  <C value="190.96" />
+  <D value="-7816.5" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12088" />
+  <B value="22.25" />
+  <C value="-1.2974" />
+  <D value="0.0000088903" />
+  <E value="-0.0000012079" />
+  <Tmin units="K"  value="184.5" />
+  <Tmax units="K"  value="492" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-380230" />
+  <B value="0.02484" />
+  <C value="1.3363E+08" />
+  <D value="-3.9523E+12" />
+  <Tmin units="K"  value="441.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094457" />
+  <B value="58.092" />
+  <C value="-3.5149" />
+  <D value="0.0011642" />
+  <E value="-0.0000051425" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7717.8" />
+  <B value="827.5" />
+  <C value="-0.45679" />
+  <D value="0.000095765" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.348" />
+  <B value="3706.7" />
+  <C value="-63.996" />
+  <Tmin units="K"  value="373" />
+  <Tmax units="K"  value="553.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7658" />
+  <B value="-0.010524" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="492" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.559462" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.817308E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.4344" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="190.79" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0689388" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.809782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.511608" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.177418" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6183" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.568" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.511608" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.177418" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-83-8" />
+<Smiles name="SMILES"  value="CC(C)CC(=O)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1069" />
+<CompoundID name="Name"  value="Diisopropyl ketone" />
+<StructureFormula name="Structure"  value="(CH3)2CHCOCH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.416" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="204" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="204.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.820585" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.142561" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.404427" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.904E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.11E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07994" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.122E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.16E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.237E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.118E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1748" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.095E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8299" />
+  <B value="-0.0059994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="81.92" />
+  <Tmax units="K"  value="204.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.013793" />
+  <B value="0.039842" />
+  <C value="582" />
+  <D value="0.095675" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.12" />
+  <B value="-8385.7" />
+  <C value="-12.681" />
+  <D value="0.0000089823" />
+  <E value="2" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="580" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.205456E+07" />
+  <B value="3.802881" />
+  <C value="-9.83224" />
+  <D value="10.38407" />
+  <E value="-3.829124" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4606.3" />
+  <B value="1087.6" />
+  <C value="3.3297" />
+  <D value="-0.060174" />
+  <E value="0.00019999" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="204.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180230" />
+  <B value="-51.129" />
+  <C value="8.6687" />
+  <D value="0.010407" />
+  <E value="-0.0000076786" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="410" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60064" />
+  <B value="-502.12" />
+  <C value="13.055" />
+  <D value="0.00012498" />
+  <E value="-3.7343E-08" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26243" />
+  <B value="-290.37" />
+  <C value="-61.044" />
+  <D value="-22979" />
+  <E value="26222" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="1842" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.6405" />
+  <B value="1129.7" />
+  <C value="-1.0122" />
+  <D value="0.0000027665" />
+  <E value="2" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="397.55" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7015E-07" />
+  <B value="0.70572" />
+  <C value="193.2" />
+  <D value="-7481.9" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11955" />
+  <B value="20.681" />
+  <C value="-1.3034" />
+  <D value="0.0000051067" />
+  <E value="-0.0000013764" />
+  <Tmin units="K"  value="172.8" />
+  <Tmax units="K"  value="460" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-9.5076" />
+  <B value="-0.0072136" />
+  <C value="2380.8" />
+  <D value="-7.251E+07" />
+  <Tmin units="K"  value="397.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095536" />
+  <B value="69.06" />
+  <C value="-3.5576" />
+  <D value="0.0014554" />
+  <E value="-0.0000061411" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36824" />
+  <B value="754.57" />
+  <C value="-0.45548" />
+  <D value="0.00010732" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.12" />
+  <B value="3193.7" />
+  <C value="-64.256" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6441" />
+  <B value="-0.015251" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="397.55" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.949942E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="305.9995" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.68836" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0550018" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724326" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.404427" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.142561" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0493" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.568" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95543" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.404427" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16330" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.142561" />
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="565-80-0" />
+<Smiles name="SMILES"  value="CC(C)C(=O)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1003" />
+<CompoundID name="Name"  value="Propanal" />
+<StructureFormula name="Structure"  value="CH3CH2CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="493.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.223" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.239" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="321.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.31328" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.0791" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0734076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.330077" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.6241E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19320" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.244E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8580000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6857E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.081" />
+  <B value="-0.012081" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68" />
+  <Tmax units="K"  value="193.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81482" />
+  <B value="0.2126" />
+  <C value="493.15" />
+  <D value="0.21277" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="492.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.8631" />
+  <B value="-6856.828" />
+  <C value="-13.8218" />
+  <D value="0.0000173391" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="504.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.196909E+07" />
+  <B value="1.837694" />
+  <C value="-1.953499" />
+  <D value="-0.000443949" />
+  <E value="0.620394" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="486.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="91450" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="493.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116710" />
+  <B value="75.622" />
+  <C value="5.752" />
+  <D value="0.010877" />
+  <E value="0.0000042986" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="350.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-181030" />
+  <B value="9.3832" />
+  <C value="12.233" />
+  <D value="0.00079415" />
+  <E value="-2.4738E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12887" />
+  <B value="-136.56" />
+  <C value="-21.224" />
+  <D value="-4367.6" />
+  <E value="283.41" />
+  <Tmin units="K"  value="286.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.033" />
+  <B value="843.41" />
+  <C value="-0.14954" />
+  <D value="3.8846E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="321.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9173E-07" />
+  <B value="0.71905" />
+  <C value="111.91" />
+  <D value="4618.1" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020248" />
+  <B value="-83.587" />
+  <C value="-0.55331" />
+  <D value="-0.0042681" />
+  <E value="0.0000015626" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="776.87" />
+  <B value="0.94095" />
+  <C value="4.8356E+09" />
+  <D value="-1.3358E+11" />
+  <Tmin units="K"  value="321.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.037283" />
+  <B value="-60.689" />
+  <C value="-1.5611" />
+  <D value="-0.0040346" />
+  <E value="0.0000015379" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="486.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="34187" />
+  <B value="159.05" />
+  <C value="0.0057665" />
+  <D value="-0.000022543" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.208" />
+  <B value="2686.9" />
+  <C value="-43.655" />
+  <Tmin units="K"  value="296.75" />
+  <Tmax units="K"  value="434" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7237" />
+  <B value="-0.014511" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="321.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20696" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.303801E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="186.2621" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.239" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0279786" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804475" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.330077" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0734076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5735" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.255909" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19320" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0734076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-38-6" />
+<Smiles name="SMILES"  value="CCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1005" />
+<CompoundID name="Name"  value="Butanal" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="521.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.263" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="347.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.316993" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.1057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0904328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.277417" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.185E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.07E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.1539E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="344900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.109E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1626" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3035E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.988" />
+  <B value="-0.001057" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="176.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0715" />
+  <B value="0.2723" />
+  <C value="521.3" />
+  <D value="0.27225" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="521.29" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.51827" />
+  <B value="-7112.269" />
+  <C value="-11.7407" />
+  <D value="9.521179E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="537.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.118197E+07" />
+  <B value="-1.36073" />
+  <C value="5.949252" />
+  <D value="-7.213209" />
+  <E value="2.926745" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="518.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9188.9" />
+  <B value="764.82" />
+  <C value="-3.4299" />
+  <D value="0.018702" />
+  <E value="-0.000037326" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="176.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146790" />
+  <B value="-6569.4" />
+  <C value="41.653" />
+  <D value="-0.01116" />
+  <E value="-0.000075065" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="328.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84791" />
+  <B value="-954.83" />
+  <C value="13.167" />
+  <D value="-0.00050103" />
+  <E value="1.5222E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17145" />
+  <B value="-192.91" />
+  <C value="-29.941" />
+  <D value="-10155" />
+  <E value="12958" />
+  <Tmin units="K"  value="268.6" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.207" />
+  <B value="1014.9" />
+  <C value="0.55992" />
+  <D value="-0.0000018129" />
+  <E value="2" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="348.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4037E-07" />
+  <B value="0.50713" />
+  <C value="464.89" />
+  <D value="-11049" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.054171" />
+  <B value="0.30189" />
+  <C value="-1.9042" />
+  <D value="-0.00054405" />
+  <E value="-0.0000037387" />
+  <Tmin units="K"  value="174.95" />
+  <Tmax units="K"  value="382.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="784.27" />
+  <B value="0.98392" />
+  <C value="6.406E+09" />
+  <D value="-1.3461E+11" />
+  <Tmin units="K"  value="347.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074594" />
+  <B value="191.36" />
+  <C value="-4.9677" />
+  <D value="0.0077444" />
+  <E value="-0.000016096" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="518.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="30948" />
+  <B value="264.36" />
+  <C value="-0.061487" />
+  <D value="-0.0000068962" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.929" />
+  <B value="2779.4" />
+  <C value="-52.488" />
+  <Tmin units="K"  value="312.85" />
+  <Tmax units="K"  value="461.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4747" />
+  <B value="-0.014139" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="348.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.31009E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="231.4515" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4313" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0356078" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806991" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.277417" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0904328" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2479" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.876" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.654" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.277417" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0904328" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-72-8" />
+<Smiles name="SMILES"  value="CCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1007" />
+<CompoundID name="Name"  value="Pentanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="554" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.316" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="376.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0522823" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.1323" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.107035" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.390803" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.516E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2669E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.0711E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.5E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.91E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.416" />
+  <B value="-0.0086288" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.8" />
+  <Tmax units="K"  value="182" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76227" />
+  <B value="0.25072" />
+  <C value="566.11" />
+  <D value="0.27912" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="566.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.63614" />
+  <B value="-7428.499" />
+  <C value="-10.51804" />
+  <D value="7.160109E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="566.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.99504E+07" />
+  <B value="0.991037" />
+  <C value="0.252443" />
+  <D value="-1.761713" />
+  <E value="0.936026" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="545.88" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17544" />
+  <B value="1682.5" />
+  <C value="-12.848" />
+  <D value="0.067016" />
+  <E value="-0.00013817" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156770" />
+  <B value="199.89" />
+  <C value="4.2571" />
+  <D value="0.024547" />
+  <E value="-0.000022679" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="424.57" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101560" />
+  <B value="-929.74" />
+  <C value="13.391" />
+  <D value="-0.0005525" />
+  <E value="1.6606E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19709" />
+  <B value="-224.42" />
+  <C value="-40.148" />
+  <D value="-19532" />
+  <E value="30096" />
+  <Tmin units="K"  value="283.05" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.884" />
+  <B value="982.07" />
+  <C value="-0.00046989" />
+  <D value="2.2767E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="376.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2718E-07" />
+  <B value="0.67661" />
+  <C value="192.16" />
+  <D value="-86.47" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010965" />
+  <B value="-0.28239" />
+  <C value="-1.5585" />
+  <D value="-0.0012856" />
+  <E value="-0.0000013221" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-3901000" />
+  <B value="-0.05461" />
+  <C value="1.6551E+09" />
+  <D value="-2.4357E+13" />
+  <Tmin units="K"  value="376.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0058735" />
+  <B value="202.77" />
+  <C value="-5.1928" />
+  <D value="0.0083152" />
+  <E value="-0.00001616" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="545.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31485" />
+  <B value="357.59" />
+  <C value="-0.11667" />
+  <D value="0.0000049337" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.106" />
+  <B value="3045.8" />
+  <C value="-58.174" />
+  <Tmin units="K"  value="337.15" />
+  <Tmax units="K"  value="485.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3505" />
+  <B value="-0.013773" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="376.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.317875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.283707E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.3623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042492" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.814463" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.390803" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.107035" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347159" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.107035" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-62-3" />
+<Smiles name="SMILES"  value="CCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1009" />
+<CompoundID name="Name"  value="Hexanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)4CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="579" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.369" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="217.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.24729" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.123708" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.439121" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.924E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4732E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.882E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422140" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.89E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.135951" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.093" />
+  <B value="-0.0058504" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.86" />
+  <Tmax units="K"  value="217.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3196" />
+  <B value="0.35571" />
+  <C value="579" />
+  <D value="0.38551" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="209.3738" />
+  <B value="-12430.59" />
+  <C value="-28.59364" />
+  <D value="0.0000281667" />
+  <E value="2" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="591" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.570251E+07" />
+  <B value="-0.000821879" />
+  <C value="0.788181" />
+  <D value="-0.0470431" />
+  <E value="-0.460389" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16038" />
+  <B value="1391.2" />
+  <C value="-4.6944" />
+  <D value="0.002827" />
+  <E value="0.000027528" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="214.94" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="175480" />
+  <B value="98.975" />
+  <C value="6.7267" />
+  <D value="0.013876" />
+  <E value="-0.0000081365" />
+  <Tmin units="K"  value="214.94" />
+  <Tmax units="K"  value="443.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115820" />
+  <B value="-867.39" />
+  <C value="13.422" />
+  <D value="-0.00036658" />
+  <E value="7.4569E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23651" />
+  <B value="-272.87" />
+  <C value="-57.26" />
+  <D value="-28587" />
+  <E value="42501" />
+  <Tmin units="K"  value="295.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.85" />
+  <B value="1055.4" />
+  <C value="0.17945" />
+  <D value="-3.4838E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="401.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6626E-07" />
+  <B value="0.71206" />
+  <C value="185.2" />
+  <D value="-6483.1" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0039289" />
+  <B value="-19.957" />
+  <C value="-1.3588" />
+  <D value="-0.0017925" />
+  <E value="-6.0508E-07" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5919900" />
+  <B value="-0.017833" />
+  <C value="2.2842E+09" />
+  <D value="-4.7916E+13" />
+  <Tmin units="K"  value="401.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0098512" />
+  <B value="146.83" />
+  <C value="-4.2826" />
+  <D value="0.0042701" />
+  <E value="-0.000009235" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29579" />
+  <B value="452.38" />
+  <C value="-0.16247" />
+  <D value="0.0000084363" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.836" />
+  <B value="3074" />
+  <C value="-71.172" />
+  <Tmin units="K"  value="352.15" />
+  <Tmax units="K"  value="512.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7935" />
+  <B value="-0.011421" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="401.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.739367E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.1391" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492739" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.821257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.439121" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123708" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.387184" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.123708" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="66-25-1" />
+<Smiles name="SMILES"  value="CCCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1008" />
+<CompoundID name="Name"  value="Heptanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)5CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="603" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.44979" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140287" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.488466" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.6401E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.653E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="461380" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.359E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.136E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6462" />
+  <B value="-0.004691" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.92" />
+  <Tmax units="K"  value="230.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53646" />
+  <B value="0.24452" />
+  <C value="616.81" />
+  <D value="0.26981" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="616.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.36" />
+  <B value="-9179.6" />
+  <C value="-12.655" />
+  <D value="0.0000073363" />
+  <E value="2" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="617" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.244116E+07" />
+  <B value="0.224744" />
+  <C value="0.949788" />
+  <D value="-1.500319" />
+  <E value="0.675167" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="596.43" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="11626" />
+  <B value="464.04" />
+  <C value="9.9687" />
+  <D value="-0.0854" />
+  <E value="0.0002123" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="210" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="200220" />
+  <B value="128.23" />
+  <C value="7.474" />
+  <D value="0.012008" />
+  <E value="-0.0000080423" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="462.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131660" />
+  <B value="-858.87" />
+  <C value="13.596" />
+  <D value="-0.00041213" />
+  <E value="8.8955E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27254" />
+  <B value="-318.17" />
+  <C value="-77.952" />
+  <D value="-41429" />
+  <E value="58799" />
+  <Tmin units="K"  value="308.4" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.4077" />
+  <B value="475.87" />
+  <C value="-3.0758" />
+  <D value="0.0000053404" />
+  <E value="2" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="425.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4563E-07" />
+  <B value="0.72362" />
+  <C value="184.89" />
+  <D value="-7288.6" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02754" />
+  <B value="-55.074" />
+  <C value="-1.243" />
+  <D value="-0.0022084" />
+  <E value="-0.0000010637" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1569.2" />
+  <B value="1.0102" />
+  <C value="1.4874E+10" />
+  <D value="2.7536E+11" />
+  <Tmin units="K"  value="425.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.073851" />
+  <B value="-32.28" />
+  <C value="-1.708" />
+  <D value="-0.0018301" />
+  <E value="6.9211E-07" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="596.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28302" />
+  <B value="549.96" />
+  <C value="-0.22024" />
+  <D value="0.000020347" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.855" />
+  <B value="-4535" />
+  <C value="-27.21" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.509" />
+  <B value="3688.3" />
+  <C value="-56.603" />
+  <Tmin units="K"  value="364.15" />
+  <Tmax units="K"  value="535.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.691" />
+  <B value="-0.010949" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="425.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.82117E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="339.3681" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559389" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.822566" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.488466" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140287" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42794" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140287" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-71-7" />
+<Smiles name="SMILES"  value="CCCCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1403" />
+<CompoundID name="Name"  value="Diisopropyl ether" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)OCH(CH3)CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="500.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.386" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.8582" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141775" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338683" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.906E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0719399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.18988E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.248E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.103E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91199" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.70234E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.235" />
+  <B value="-0.0060556" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.06" />
+  <Tmax units="K"  value="187.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72527" />
+  <B value="0.27594" />
+  <C value="500.05" />
+  <D value="0.29413" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.5333" />
+  <B value="-7120.297" />
+  <C value="-13.51365" />
+  <D value="0.0000143778" />
+  <E value="2" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="500.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8041E+07" />
+  <B value="2.3385" />
+  <C value="-5.2086" />
+  <D value="5.0367" />
+  <E value="-1.6926" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12905" />
+  <B value="1581.3" />
+  <C value="-8.8913" />
+  <D value="0.036008" />
+  <E value="-0.000053243" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="187.77" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="161880" />
+  <B value="-2.8879" />
+  <C value="7.7638" />
+  <D value="0.014551" />
+  <E value="-0.000013251" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69454" />
+  <B value="-410.18" />
+  <C value="12.642" />
+  <D value="0.00044085" />
+  <E value="-1.3595E-07" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20132" />
+  <B value="-190.66" />
+  <C value="-42.523" />
+  <D value="5178" />
+  <E value="-15257" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.064" />
+  <B value="932.47" />
+  <C value="-0.38815" />
+  <D value="0.0000010323" />
+  <E value="2" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0782E-07" />
+  <B value="0.58517" />
+  <C value="121.4" />
+  <D value="19303" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067752" />
+  <B value="-462.02" />
+  <C value="2.3997" />
+  <D value="-0.014453" />
+  <E value="0.0000029856" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010149" />
+  <B value="1.0246" />
+  <C value="180.97" />
+  <D value="93179" />
+  <Tmin units="K"  value="328.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092656" />
+  <B value="51.562" />
+  <C value="-3.4763" />
+  <D value="0.0012682" />
+  <E value="-0.000007923" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7177.4" />
+  <B value="598.8" />
+  <C value="-0.32962" />
+  <D value="0.000071947" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.907471" />
+  <B value="-1950" />
+  <C value="-11.7" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.585" />
+  <B value="3179.8" />
+  <C value="-25.516" />
+  <Tmin units="K"  value="300.26" />
+  <Tmax units="K"  value="450" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4668" />
+  <B value="-0.015287" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387973" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.626648E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.4279" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.82949" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0513038" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.730337" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141775" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7421" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.088" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.025312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.033494" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.1989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141775" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-20-3" />
+<Smiles name="SMILES"  value="CC(C)OC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1404" />
+<CompoundID name="Name"  value="Di-n-butyl ether" />
+<StructureFormula name="Structure"  value="(C4H9)2O" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="580.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.511" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000714135" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.228" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17041" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.447646" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.797E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09192" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.288E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.339E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.827E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="481200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.63E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.33492" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.3732" />
+  <B value="-0.005226" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="70.12" />
+  <Tmax units="K"  value="177.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.22926" />
+  <B value="0.17412" />
+  <C value="584.11" />
+  <D value="0.21764" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="584.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.7043" />
+  <B value="-8294.241" />
+  <C value="-10.81822" />
+  <D value="6.127187E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="584.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.4859E+07" />
+  <B value="0.77992" />
+  <C value="-0.72383" />
+  <D value="0.38094" />
+  <E value="-0.025388" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="562.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="580.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="198760" />
+  <B value="65.432" />
+  <C value="9.8123" />
+  <D value="0.0039694" />
+  <E value="8.4178E-07" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152990" />
+  <B value="-805.71" />
+  <C value="13.605" />
+  <D value="-0.00024656" />
+  <E value="5.3497E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34998" />
+  <B value="-389.07" />
+  <C value="-72.95" />
+  <D value="-21323" />
+  <E value="26825" />
+  <Tmin units="K"  value="290.5" />
+  <Tmax units="K"  value="1856.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.743" />
+  <B value="-83.003" />
+  <C value="-4.9404" />
+  <D value="0.000004096" />
+  <E value="2" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="414.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002113" />
+  <B value="0.66224" />
+  <C value="141.56" />
+  <D value="6932" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.067128" />
+  <B value="2.4703" />
+  <C value="-1.3291" />
+  <D value="-0.0010011" />
+  <E value="-2.5742E-07" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0036064" />
+  <B value="0.57918" />
+  <C value="1401.9" />
+  <D value="287150" />
+  <Tmin units="K"  value="280.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01167" />
+  <B value="44.906" />
+  <C value="-3.3567" />
+  <D value="0.00097712" />
+  <E value="-0.0000052216" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="562.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="34113" />
+  <B value="646.38" />
+  <C value="-0.25439" />
+  <D value="0.000025866" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.921" />
+  <B value="3199" />
+  <C value="-73.256" />
+  <Tmin units="K"  value="353.35" />
+  <Tmax units="K"  value="522.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3266" />
+  <B value="-0.013047" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="414.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.506519" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.988813E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.6962" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.87345" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0666012" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.77463" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.447646" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17041" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0925" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.176" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.06222" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447646" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17041" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-96-1" />
+<Smiles name="SMILES"  value="CCCCOCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1406" />
+<CompoundID name="Name"  value="Di-sec-butyl ether" />
+<StructureFormula name="Structure"  value="C2H5(CH3)CHOCH(CH3)C2H5" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2556000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.2" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="173.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="173.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0027863" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.228" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.171577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.329" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.373E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0924" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.292E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.609E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.9233E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.4542" />
+  <B value="-0.0061032" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.26" />
+  <Tmax units="K"  value="173.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.038135" />
+  <B value="0.072155" />
+  <C value="562" />
+  <D value="0.11862" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.5292" />
+  <B value="-8146.755" />
+  <C value="-11.97808" />
+  <D value="8.058954E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="560" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5999E+07" />
+  <B value="0.34375" />
+  <C value="0.18962" />
+  <D value="-0.14755" />
+  <E value="-0.0040987" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="562" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102180" />
+  <B value="-37.551" />
+  <C value="10.606" />
+  <D value="0.0064949" />
+  <E value="-0.0000048029" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="420" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94528" />
+  <B value="-497.39" />
+  <C value="13.241" />
+  <D value="0.000057744" />
+  <E value="-1.2606E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31867" />
+  <B value="-341.87" />
+  <C value="-60.467" />
+  <D value="-9470.7" />
+  <E value="6002.4" />
+  <Tmin units="K"  value="281" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.318" />
+  <B value="1230.4" />
+  <C value="-0.20919" />
+  <D value="4.9411E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="394.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1864E-07" />
+  <B value="0.74861" />
+  <C value="137.78" />
+  <D value="-4500.8" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.027499" />
+  <B value="27.604" />
+  <C value="-2.2754" />
+  <D value="0.00032105" />
+  <E value="-0.0000044406" />
+  <Tmin units="K"  value="167.7" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016749" />
+  <B value="0.96101" />
+  <C value="656.84" />
+  <D value="-691.7" />
+  <Tmin units="K"  value="394.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010066" />
+  <B value="43.992" />
+  <C value="-3.3461" />
+  <D value="0.00062354" />
+  <E value="-0.0000053912" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-28426" />
+  <B value="952.53" />
+  <C value="-0.64748" />
+  <D value="0.00017987" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.954" />
+  <B value="3141.6" />
+  <C value="-61.002" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.7138" />
+  <B value="-0.01814" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="394.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.509471" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.096626E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.9059" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0642045" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.769756" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.329" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.171577" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0909" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.168" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.329" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.171577" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6863-58-7" />
+<Smiles name="SMILES"  value="CCC(C)OC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1407" />
+<CompoundID name="Name"  value="Methyl ethyl ether" />
+<StructureFormula name="Structure"  value="CH3CH2OCH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="437.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="280.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.85121" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08585" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.236" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.594E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15370" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04127" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.164E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.177E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7980000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81612" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.9314E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.4" />
+  <B value="-5.0307E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1195" />
+  <B value="0.26367" />
+  <C value="437.86" />
+  <D value="0.25231" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="437.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.84" />
+  <B value="-4659.2" />
+  <C value="-6.4137" />
+  <D value="0.0000057727" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="437.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3679E+08" />
+  <B value="9.4948" />
+  <C value="-25.655" />
+  <D value="28.424" />
+  <E value="-11.603" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="423.18" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="106570" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="437.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109050" />
+  <B value="-31.645" />
+  <C value="7.7783" />
+  <D value="0.0084684" />
+  <E value="0.0000041202" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="291.87" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60571" />
+  <B value="-557.18" />
+  <C value="12.079" />
+  <D value="0.00048084" />
+  <E value="-1.7581E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11781" />
+  <B value="-82.964" />
+  <C value="-11.583" />
+  <D value="116.91" />
+  <E value="-410.44" />
+  <Tmin units="K"  value="218.9" />
+  <Tmax units="K"  value="1751.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.138" />
+  <B value="628.05" />
+  <C value="0.042345" />
+  <D value="-2.0281E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9661E-07" />
+  <B value="0.6716" />
+  <C value="174.02" />
+  <D value="-2778.1" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029003" />
+  <B value="34.124" />
+  <C value="-1.9356" />
+  <D value="0.0010295" />
+  <E value="-0.0000079939" />
+  <Tmin units="K"  value="123.15" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021058" />
+  <B value="0.94472" />
+  <C value="515.36" />
+  <D value="8108.3" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010165" />
+  <B value="66.837" />
+  <C value="-3.7084" />
+  <D value="0.0031429" />
+  <E value="-0.000012741" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="423.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33324" />
+  <B value="178.7" />
+  <C value="0.14991" />
+  <D value="-0.00027712" />
+  <E value="1.1067E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.812" />
+  <B value="2153.4" />
+  <C value="-48.579" />
+  <Tmin units="K"  value="265.35" />
+  <Tmax units="K"  value="393.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.3262" />
+  <B value="-0.012074" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.218857" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.502528E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.3936" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44235" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0306623" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.705396" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.236" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7205" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.476" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.534" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.236" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15370" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.08585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="540-67-0" />
+<Smiles name="SMILES"  value="COCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1408" />
+<CompoundID name="Name"  value="Methyl n-propyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH2CH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="472" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3801000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.274" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="312.29" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="123.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00289599" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.1216" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1032" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276999" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.12326E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0515" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.379E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.108E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7670000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89511" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.517E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.416" />
+  <B value="-0.014383" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.59" />
+  <Tmax units="K"  value="133.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1427" />
+  <B value="0.28927" />
+  <C value="472" />
+  <D value="0.3185" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.81269" />
+  <B value="-4968.626" />
+  <C value="-5.703041" />
+  <D value="3.962175E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="476.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.425282E+07" />
+  <B value="0.586164" />
+  <C value="-0.378014" />
+  <D value="0.582618" />
+  <E value="-0.440041" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9510.5" />
+  <B value="1023.7" />
+  <C value="0.15873" />
+  <D value="-0.038206" />
+  <E value="0.00015489" />
+  <Tmin units="K"  value="15.99" />
+  <Tmax units="K"  value="127.29" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136920" />
+  <B value="43.97" />
+  <C value="5.0864" />
+  <D value="0.024992" />
+  <E value="-0.000027384" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93668" />
+  <B value="-926.82" />
+  <C value="13.189" />
+  <D value="-0.0004818" />
+  <E value="0.000000144" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17308" />
+  <B value="-175.69" />
+  <C value="-17.924" />
+  <D value="-525.83" />
+  <E value="-815.37" />
+  <Tmin units="K"  value="238.12" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.301" />
+  <B value="802.09" />
+  <C value="0.054938" />
+  <D value="-4.1844E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0896E-07" />
+  <B value="0.78578" />
+  <C value="98.829" />
+  <D value="-6562.3" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0079788" />
+  <B value="3.9001" />
+  <C value="-1.4224" />
+  <D value="-0.0010693" />
+  <E value="-0.0000025315" />
+  <Tmin units="K"  value="123.15" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.010718" />
+  <B value="0.485" />
+  <C value="2083.9" />
+  <D value="283110" />
+  <Tmin units="K"  value="312.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012651" />
+  <B value="20.99" />
+  <C value="-2.9043" />
+  <D value="-0.00049586" />
+  <E value="-0.0000059519" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29023" />
+  <B value="312.2" />
+  <C value="-0.087621" />
+  <D value="-0.0000082831" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.939" />
+  <B value="2550.9" />
+  <C value="-41.081" />
+  <Tmin units="K"  value="284.01" />
+  <Tmax units="K"  value="422.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3078" />
+  <B value="-0.017264" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.964859E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.5475" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.72462" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372251" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.733812" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.276999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1032" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3949" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.016" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.6721" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.276999" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1032" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="557-17-5" />
+<Smiles name="SMILES"  value="COCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1409" />
+<CompoundID name="Name"  value="Isopropyl butyl ether" />
+<StructureFormula name="Structure"  value="C4H9OCH(CH3)2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="378.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0337504" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.201" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155791" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.403229" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.475E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08218" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.158E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.269E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.071E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="450200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.22E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.324E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.3504" />
+  <B value="-0.0064933" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72" />
+  <Tmax units="K"  value="180" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62258" />
+  <B value="0.27082" />
+  <C value="549" />
+  <D value="0.30735" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.99635" />
+  <B value="-7315.405" />
+  <C value="-9.426402" />
+  <D value="5.236755E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2177E+07" />
+  <B value="0.38027" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="210610" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="549" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="200760" />
+  <B value="-0.77126" />
+  <C value="8.116" />
+  <D value="0.0093067" />
+  <E value="-0.00000176" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="411.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76973" />
+  <B value="-443.41" />
+  <C value="12.925" />
+  <D value="0.00032949" />
+  <E value="-1.1644E-07" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28425" />
+  <B value="-304.18" />
+  <C value="-51.293" />
+  <D value="-5929.1" />
+  <E value="1171.2" />
+  <Tmin units="K"  value="274.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.496" />
+  <B value="1171.6" />
+  <C value="0.0066892" />
+  <D value="-1.6659E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="382.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000000176" />
+  <B value="0.70157" />
+  <C value="181.76" />
+  <D value="-5946.4" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10095" />
+  <B value="17.355" />
+  <C value="-1.4146" />
+  <D value="-0.000082157" />
+  <E value="-0.0000014735" />
+  <Tmin units="K"  value="164.7" />
+  <Tmax units="K"  value="439.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016013" />
+  <B value="0.96562" />
+  <C value="574.46" />
+  <D value="18419" />
+  <Tmin units="K"  value="382.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0073125" />
+  <B value="68.441" />
+  <C value="-3.6554" />
+  <D value="0.0016795" />
+  <E value="-0.0000077692" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16950" />
+  <B value="793.92" />
+  <C value="-0.50277" />
+  <D value="0.00012845" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.893" />
+  <B value="2954" />
+  <C value="-66.624" />
+  <Tmin units="K"  value="335.37" />
+  <Tmax units="K"  value="490.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4944" />
+  <B value="-0.016265" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="382.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.447711" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.086625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.7026" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="154.37" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0580587" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.755446" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.403229" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155791" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.4173" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.632" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.403229" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155791" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1860-27-1" />
+<Smiles name="SMILES"  value="CCCCOC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1410" />
+<CompoundID name="Name"  value="Methyl isobutyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH2CH(CH3)CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.7" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.121242" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.307786" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.608E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06172" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.66E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.07E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.122E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.4" />
+  <B value="-2.3039E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.83514" />
+  <B value="0.27544" />
+  <C value="497" />
+  <D value="0.27525" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="67.83965" />
+  <B value="-5584.772" />
+  <C value="-6.90156" />
+  <D value="5.177794E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.281E+07" />
+  <B value="0.34436" />
+  <C value="0.050812" />
+  <D value="-0.029168" />
+  <E value="0.014527" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="158590" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="497" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156890" />
+  <B value="481.87" />
+  <C value="3.1798" />
+  <D value="0.023292" />
+  <E value="-0.000015219" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84480" />
+  <B value="-573.48" />
+  <C value="12.645" />
+  <D value="0.00036001" />
+  <E value="-1.6026E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20282" />
+  <B value="-209.23" />
+  <C value="-25.747" />
+  <D value="-401.68" />
+  <E value="-2768.2" />
+  <Tmin units="K"  value="248.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.5049" />
+  <B value="776.05" />
+  <C value="-0.79051" />
+  <D value="0.0000029469" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="331.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7344E-07" />
+  <B value="0.65828" />
+  <C value="203.42" />
+  <D value="-5560.1" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1664" />
+  <B value="6.1773" />
+  <C value="-1.0308" />
+  <D value="-0.0004394" />
+  <E value="-9.9213E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="390" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016088" />
+  <B value="0.97231" />
+  <C value="471.48" />
+  <D value="30281" />
+  <Tmin units="K"  value="331.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010965" />
+  <B value="36.367" />
+  <C value="-3.3144" />
+  <D value="0.00071793" />
+  <E value="-0.0000066621" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9865.2" />
+  <B value="481.23" />
+  <C value="-0.22823" />
+  <D value="0.000035281" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.621" />
+  <B value="3058" />
+  <C value="-30.223" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2832" />
+  <B value="-0.016308" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="331.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.330209" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.144609E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.032" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0437951" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.738166" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.307786" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121242" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0685" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.307786" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.121242" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="625-44-5" />
+<Smiles name="SMILES"  value="COCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1411" />
+<CompoundID name="Name"  value="Methyl isopropyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH(CH3)2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="464.48" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3762000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="303.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="127.93" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="127.93" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00332352" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.1216" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1046" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.26555" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.125E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.16E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05149" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.52E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.209E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5850000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88228" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5311E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.275" />
+  <B value="-0.014925" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.17" />
+  <Tmax units="K"  value="127.93" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.82094" />
+  <B value="0.24798" />
+  <C value="464.48" />
+  <D value="0.26184" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.57822" />
+  <B value="-4874.158" />
+  <C value="-6.034163" />
+  <D value="5.097159E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="464.48" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.2811E+07" />
+  <B value="1.2196" />
+  <C value="-2.6572" />
+  <D value="3.1706" />
+  <E value="-1.3477" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14239" />
+  <B value="1522.1" />
+  <C value="-10.372" />
+  <D value="0.040411" />
+  <E value="-0.000026641" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="127.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123760" />
+  <B value="190.2" />
+  <C value="5.9878" />
+  <D value="0.016259" />
+  <E value="-0.000010176" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="342.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84263" />
+  <B value="-798.1" />
+  <C value="12.945" />
+  <D value="-0.00018216" />
+  <E value="3.6316E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17001" />
+  <B value="-169.64" />
+  <C value="-16.164" />
+  <D value="-375.05" />
+  <E value="-728.91" />
+  <Tmin units="K"  value="232.24" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.884" />
+  <B value="730.8" />
+  <C value="-0.038881" />
+  <D value="2.6764E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="303.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9275E-07" />
+  <B value="0.70897" />
+  <C value="109.56" />
+  <D value="-107.54" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21567" />
+  <B value="5.2547" />
+  <C value="-0.85956" />
+  <D value="-0.00045627" />
+  <E value="-9.7493E-07" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="370" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.3675" />
+  <B value="-0.14071" />
+  <C value="1446.2" />
+  <D value="3030500" />
+  <Tmin units="K"  value="303.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012657" />
+  <B value="18.015" />
+  <C value="-2.9804" />
+  <D value="-0.00052011" />
+  <E value="-0.0000057032" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23278" />
+  <B value="335.74" />
+  <C value="-0.1205" />
+  <D value="0.0000088148" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.025" />
+  <B value="2524.7" />
+  <C value="-38.36" />
+  <Tmin units="K"  value="287.35" />
+  <Tmax units="K"  value="411.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5841" />
+  <B value="-0.01794" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="303.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273919" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.872801E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.5273" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0366241" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724137" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26555" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1046" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3941" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.012" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.26555" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1046" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="598-53-8" />
+<Smiles name="SMILES"  value="COC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1428" />
+<CompoundID name="Name"  value="Tert-butyl ethyl ether" />
+<StructureFormula name="Structure"  value="(CH3)3COCH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="512" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3149000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.382" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="345.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.880264" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.138991" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.295672" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.825E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.043E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.165E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.217E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="397500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9530000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96475" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.626" />
+  <B value="-0.0074141" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="71.66" />
+  <Tmax units="K"  value="179.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74373" />
+  <B value="0.27619" />
+  <C value="512" />
+  <D value="0.30602" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.92213" />
+  <B value="-5564.171" />
+  <C value="-5.601322" />
+  <D value="3.389291E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="514" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5825E+07" />
+  <B value="0.349787" />
+  <C value="0.137025" />
+  <D value="-0.301886" />
+  <E value="0.219717" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="184600" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="512" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135520" />
+  <B value="9.8807" />
+  <C value="8.6914" />
+  <D value="0.01077" />
+  <E value="-0.0000076034" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="377" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78915" />
+  <B value="-487.03" />
+  <C value="12.843" />
+  <D value="0.00025385" />
+  <E value="-8.879E-08" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23521" />
+  <B value="-254.66" />
+  <C value="-30.796" />
+  <D value="-1091.5" />
+  <E value="-2460.3" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.011" />
+  <B value="1089.8" />
+  <C value="0.081011" />
+  <D value="-2.1688E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="345.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9715E-07" />
+  <B value="0.697" />
+  <C value="171.3" />
+  <D value="-4885.5" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1316" />
+  <B value="11.716" />
+  <C value="-1.2478" />
+  <D value="-0.00024672" />
+  <E value="-0.0000012519" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="404.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000058788" />
+  <B value="1.0907" />
+  <C value="235.7" />
+  <D value="33150" />
+  <Tmin units="K"  value="345.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097534" />
+  <B value="59.145" />
+  <C value="-3.4319" />
+  <D value="0.0013727" />
+  <E value="-0.0000078881" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8811.5" />
+  <B value="674.5" />
+  <C value="-0.41693" />
+  <D value="0.00010398" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.712" />
+  <B value="2624.2" />
+  <C value="-60.279" />
+  <Tmin units="K"  value="310" />
+  <Tmax units="K"  value="453.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8175" />
+  <B value="-0.016919" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="345.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.458278E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.0571" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0518272" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.747248" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.295672" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.138991" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7422" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.172" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.886894" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.04628" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.295672" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.138991" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="637-92-3" />
+<Smiles name="SMILES"  value="CCOC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1430" />
+<CompoundID name="Name"  value="Ethyl tert-pentyl ether" />
+<StructureFormula name="Structure"  value="C2H5C(CH3)2OC2H5" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="544" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.729523" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.201" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.152635" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338192" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.071E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.178E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.324E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.094E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.32E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.4008" />
+  <B value="-0.0061847" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76" />
+  <Tmax units="K"  value="190" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65888" />
+  <B value="0.27797" />
+  <C value="544" />
+  <D value="0.29227" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.12433" />
+  <B value="-5006.625" />
+  <C value="-3.892102" />
+  <D value="0.0000058438" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="546" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.448049E+07" />
+  <B value="2.475757" />
+  <C value="-5.830862" />
+  <D value="5.958177" />
+  <E value="-2.135539" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="210610" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="544" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-79604" />
+  <B value="-398.25" />
+  <C value="15.392" />
+  <D value="-0.0067505" />
+  <E value="0.0000071337" />
+  <Tmin units="K"  value="272" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119820" />
+  <B value="-647.93" />
+  <C value="13.251" />
+  <D value="-0.00004893" />
+  <E value="2.8951E-09" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26473" />
+  <B value="-291.19" />
+  <C value="-50.413" />
+  <D value="-1429" />
+  <E value="-7779.1" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.435" />
+  <B value="1134.3" />
+  <C value="-0.0102" />
+  <D value="2.552E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="374.57" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2029E-07" />
+  <B value="0.7552" />
+  <C value="122.76" />
+  <D value="-2833.2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13805" />
+  <B value="13.252" />
+  <C value="-1.2618" />
+  <D value="-0.00018101" />
+  <E value="-0.0000010967" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="435.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013295" />
+  <B value="0.98504" />
+  <C value="431.52" />
+  <D value="34060" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012045" />
+  <B value="51.27" />
+  <C value="-3.2868" />
+  <D value="0.00081088" />
+  <E value="-0.0000057636" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2299.7" />
+  <B value="719.3" />
+  <C value="-0.404" />
+  <D value="0.000086601" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.218" />
+  <B value="3203.1" />
+  <C value="-44.232" />
+  <Tmin units="K"  value="327.25" />
+  <Tmax units="K"  value="471.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9477" />
+  <B value="-0.015403" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="374.57" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.447652" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.714488E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.6635" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="154.37" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0585327" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.76996" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338192" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.152635" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.4166" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.712" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338192" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.152635" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="919-94-8" />
+<Smiles name="SMILES"  value="CCC(C)(C)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1447" />
+<CompoundID name="Name"  value="Butyl vinyl ether" />
+<StructureFormula name="Structure"  value="C4H9OCHCH2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.38362" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="367.131" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.134811" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.163" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.130251" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.358" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.16955E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0684699" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.71E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.83E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.61974E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="428000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.38E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10759" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.59144E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.146" />
+  <B value="-0.0067994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.46" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51202" />
+  <B value="0.22443" />
+  <C value="540.5" />
+  <D value="0.25269" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="517.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.48089" />
+  <B value="-6835.53" />
+  <C value="-8.641032" />
+  <D value="5.192611E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9857E+07" />
+  <B value="1.4054" />
+  <C value="-2.9112" />
+  <D value="3.3585" />
+  <E value="-1.4378" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="177040" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="540.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="179060" />
+  <B value="294.15" />
+  <C value="4.464" />
+  <D value="0.023293" />
+  <E value="-0.000021892" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70271" />
+  <B value="-440.11" />
+  <C value="12.531" />
+  <D value="0.00054467" />
+  <E value="-2.1666E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2416" />
+  <B value="-256" />
+  <C value="-40.57" />
+  <D value="859.83" />
+  <E value="-11281" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.973" />
+  <B value="1139.1" />
+  <C value="0.44727" />
+  <D value="-0.0000011861" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4315E-08" />
+  <B value="0.78571" />
+  <C value="41.584" />
+  <D value="9100.4" />
+  <Tmin units="K"  value="366.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13174" />
+  <B value="16.987" />
+  <C value="-1.2513" />
+  <D value="-0.000050242" />
+  <E value="-0.000001447" />
+  <Tmin units="K"  value="160.8" />
+  <Tmax units="K"  value="420.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002407" />
+  <B value="1.1842" />
+  <C value="65.04" />
+  <D value="40153" />
+  <Tmin units="K"  value="366.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010113" />
+  <B value="61.945" />
+  <C value="-3.4261" />
+  <D value="0.0012947" />
+  <E value="-0.0000069057" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6738" />
+  <B value="536.06" />
+  <C value="-0.27187" />
+  <D value="0.000047059" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.122" />
+  <B value="2983.4" />
+  <C value="-56.28" />
+  <Tmin units="K"  value="330.56" />
+  <Tmax units="K"  value="479.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9306" />
+  <B value="-0.015656" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.368168" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.438977E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="329.5296" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="131.54" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.78288" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0496357" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.791941" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130251" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7403" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.192" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.50681" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130251" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-34-2" />
+<Smiles name="SMILES"  value="CCCCOC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1461" />
+<CompoundID name="Name"  value="Anisole" />
+<StructureFormula name="Structure"  value="C6H5OCH3" />
+<Family name="Family"  value="62" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="642.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.337" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="426.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="235.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.44662" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.138" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.109167" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.350169" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.719E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06321" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.02E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.8E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.27E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9600000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97849" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.6018E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.268" />
+  <B value="-0.0057985" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.26" />
+  <Tmax units="K"  value="235.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67524" />
+  <B value="0.24431" />
+  <C value="645.61" />
+  <D value="0.26239" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="645.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="117.0581" />
+  <B value="-9318.991" />
+  <C value="-14.12565" />
+  <D value="9.850515E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="645.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1782E+07" />
+  <B value="0.29654" />
+  <C value="0.81637" />
+  <D value="-1.3762" />
+  <E value="0.64684" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="624.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25569" />
+  <B value="-54.962" />
+  <C value="8.9953" />
+  <D value="-0.053617" />
+  <E value="0.00010624" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="235.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128070" />
+  <B value="-77.615" />
+  <C value="10.002" />
+  <D value="0.0059631" />
+  <E value="-0.0000043683" />
+  <Tmin units="K"  value="245.2" />
+  <Tmax units="K"  value="484.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-116340" />
+  <B value="-170.41" />
+  <C value="12.829" />
+  <D value="0.00034368" />
+  <E value="-1.0767E-07" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24272" />
+  <B value="-330.37" />
+  <C value="-37.811" />
+  <D value="-176890" />
+  <E value="557310" />
+  <Tmin units="K"  value="366.91" />
+  <Tmax units="K"  value="1760.88" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.864" />
+  <B value="1572.6" />
+  <C value="0.82898" />
+  <D value="-2.2828E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="426.73" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7587E-07" />
+  <B value="0.71998" />
+  <C value="171.18" />
+  <D value="1705.8" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15959" />
+  <B value="21.142" />
+  <C value="-1.1373" />
+  <D value="-0.0000023738" />
+  <E value="-0.0000009757" />
+  <Tmin units="K"  value="192.5" />
+  <Tmax units="K"  value="512.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00055356" />
+  <B value="0.7624" />
+  <C value="342.48" />
+  <D value="235670" />
+  <Tmin units="K"  value="426.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01028" />
+  <B value="76.185" />
+  <C value="-3.3574" />
+  <D value="0.001879" />
+  <E value="-0.0000062433" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="624.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-76587" />
+  <B value="835.59" />
+  <C value="-0.72557" />
+  <D value="0.00024575" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.251956" />
+  <B value="-2150" />
+  <C value="-12.9" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.389" />
+  <B value="3602.4" />
+  <C value="-61.82" />
+  <Tmin units="K"  value="385.45" />
+  <Tmax units="K"  value="568.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2274" />
+  <B value="-0.012042" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="426.73" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.338527" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.333466E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="361.4017" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0469574" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.999625" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.350169" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109167" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1667" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.208" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.350169" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109167" />
+<UnifacVLE name="UNIFAC" >
+  <group id="25"  value="1" />
+  <group id="11"  value="1" />
+  <group id="10"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="27"  value="1" />
+  <group id="10"  value="1" />
+  <group id="9"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="25"  value="1" />
+  <group id="11"  value="1" />
+  <group id="10"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="24"  value="1" />
+  <group id="10"  value="1" />
+  <group id="9"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-66-3" />
+<Smiles name="SMILES"  value="c1ccccc1(OC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1319" />
+<CompoundID name="Name"  value="Isopropyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH(CH3)2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="516.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3495640" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.343881" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.8692" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.132" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.117579" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.542817" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.679E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06299" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.817E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.337E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="390200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8880000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.28" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.658E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.073" />
+  <B value="-0.0067629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.9" />
+  <Tmax units="K"  value="199.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7447" />
+  <B value="0.38746" />
+  <C value="516.15" />
+  <D value="0.46246" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.596" />
+  <B value="-5675.5" />
+  <C value="-4.5065" />
+  <D value="0.0000012831" />
+  <E value="2" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="532" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.852874E+07" />
+  <B value="0.139799" />
+  <C value="0.87492" />
+  <D value="-1.379465" />
+  <E value="0.721356" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156890" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="516.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131390" />
+  <B value="-46.486" />
+  <C value="8.1047" />
+  <D value="0.013597" />
+  <E value="-0.000010999" />
+  <Tmin units="K"  value="215.75" />
+  <Tmax units="K"  value="478.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49388" />
+  <B value="-461.23" />
+  <C value="12.886" />
+  <D value="-0.00010674" />
+  <E value="6.959E-08" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22372" />
+  <B value="-237.39" />
+  <C value="-36.602" />
+  <D value="-8696.2" />
+  <E value="11115" />
+  <Tmin units="K"  value="266" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.895" />
+  <B value="1115.7" />
+  <C value="-0.084451" />
+  <D value="4.8399E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="361.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7177E-07" />
+  <B value="0.62086" />
+  <C value="249.31" />
+  <D value="-266.55" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.09612" />
+  <B value="7.576" />
+  <C value="-1.2028" />
+  <D value="-0.00070085" />
+  <E value="-9.2097E-07" />
+  <Tmin units="K"  value="161.4" />
+  <Tmax units="K"  value="421.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5913400" />
+  <B value="-0.12076" />
+  <C value="3.6992E+09" />
+  <D value="-2.5996E+13" />
+  <Tmin units="K"  value="361.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048741" />
+  <B value="363.65" />
+  <C value="-7.1258" />
+  <D value="0.0151" />
+  <E value="-0.000025128" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-29200" />
+  <B value="680.9" />
+  <C value="-0.52361" />
+  <D value="0.00016062" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.384" />
+  <B value="3059.3" />
+  <C value="-51.328" />
+  <Tmin units="K"  value="312.04" />
+  <Tmax units="K"  value="462.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9628" />
+  <B value="-0.015227" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="361.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.337297" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.900063E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="229.2309" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="114.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0449492" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.881001" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.367774" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117579" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1522" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.652" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.367774" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.117579" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-21-4" />
+<Smiles name="SMILES"  value="CC(=O)OC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1315" />
+<CompoundID name="Name"  value="N-butyl acetate" />
+<StructureFormula name="Structure"  value="CH3COO(CH2)3CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="579" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3090000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4128" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0816516" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13251" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.28E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07323" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.049E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.856E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.123E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.283E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.567" />
+  <B value="-0.0057964" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.86" />
+  <Tmax units="K"  value="199.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13588" />
+  <B value="0.1193" />
+  <C value="579" />
+  <D value="0.16305" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.42793" />
+  <B value="-7625.342" />
+  <C value="-10.22284" />
+  <D value="8.987208E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.192574E+07" />
+  <B value="1.151594" />
+  <C value="0.0889674" />
+  <D value="-1.859865" />
+  <E value="1.113952" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182900" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="579" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="201710" />
+  <B value="-19.025" />
+  <C value="8.0191" />
+  <D value="0.0068889" />
+  <E value="0.0000021505" />
+  <Tmin units="K"  value="202.7" />
+  <Tmax units="K"  value="461.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92876" />
+  <B value="-666.17" />
+  <C value="13.432" />
+  <D value="-0.00066148" />
+  <E value="3.0678E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22835" />
+  <B value="-267.19" />
+  <C value="-64.731" />
+  <D value="-23119" />
+  <E value="30658" />
+  <Tmin units="K"  value="289.5" />
+  <Tmax units="K"  value="1737" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.008" />
+  <B value="1461.1" />
+  <C value="0.8424" />
+  <D value="1.1193E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="399.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0488E-07" />
+  <B value="0.76809" />
+  <C value="52.337" />
+  <D value="8271.1" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.04366" />
+  <B value="-125.65" />
+  <C value="-0.40686" />
+  <D value="-0.0059305" />
+  <E value="0.0000024167" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="463.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="5.9364E-09" />
+  <B value="2.3739" />
+  <C value="-402.22" />
+  <D value="69606" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="800" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016732" />
+  <B value="17.559" />
+  <C value="-2.7905" />
+  <D value="-0.00064121" />
+  <E value="-0.0000029118" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22630" />
+  <B value="742.91" />
+  <C value="-0.55184" />
+  <D value="0.0001701" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.114462" />
+  <B value="-2550" />
+  <C value="-15.3" />
+  <Tmin units="K"  value="273.0389" />
+  <Tmax units="K"  value="443.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.225" />
+  <B value="3242.2" />
+  <C value="-64.854" />
+  <Tmin units="K"  value="349.03" />
+  <Tmax units="K"  value="516.07" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.8704" />
+  <B value="-0.011433" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="399.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.39539" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.229034E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.4266" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="135.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0528122" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.885234" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13251" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.8274" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.196" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13251" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-86-4" />
+<Smiles name="SMILES"  value="CC(=O)OCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1316" />
+<CompoundID name="Name"  value="Isobutyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2CH(CH3)2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.413" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="389.72" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00622415" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13387" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.456" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.276E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07322" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.048E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.93E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.222E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="441000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.24E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.319E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.68" />
+  <B value="-0.0067015" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.72" />
+  <Tmax units="K"  value="174.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40843" />
+  <B value="0.20784" />
+  <C value="561" />
+  <D value="0.21394" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="28.45261" />
+  <B value="-5051.537" />
+  <C value="-0.615949" />
+  <D value="-1.95606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="561.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.408651E+07" />
+  <B value="1.313221" />
+  <C value="-1.992233" />
+  <D value="1.203843" />
+  <E value="-0.0654865" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182900" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="561" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="161610" />
+  <B value="660.76" />
+  <C value="3.3098" />
+  <D value="0.024476" />
+  <E value="-0.000019195" />
+  <Tmin units="K"  value="211.01" />
+  <Tmax units="K"  value="504.72" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100140" />
+  <B value="-654.65" />
+  <C value="13.176" />
+  <D value="-0.00017464" />
+  <E value="3.2068E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1400.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25768" />
+  <B value="-273.28" />
+  <C value="-54.487" />
+  <D value="-16133" />
+  <E value="20909" />
+  <Tmin units="K"  value="280.4" />
+  <Tmax units="K"  value="1792.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.1351" />
+  <B value="566.94" />
+  <C value="-0.24427" />
+  <D value="-0.0000078548" />
+  <E value="2" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="389.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0879E-07" />
+  <B value="0.78101" />
+  <C value="111.13" />
+  <D value="1059.5" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.070874" />
+  <B value="405.28" />
+  <C value="-7.1892" />
+  <D value="0.020474" />
+  <E value="-0.000033831" />
+  <Tmin units="K"  value="168.3" />
+  <Tmax units="K"  value="448.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.0010112" />
+  <B value="0.95292" />
+  <C value="-6813.9" />
+  <D value="270410" />
+  <Tmin units="K"  value="389.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01526" />
+  <B value="26.196" />
+  <C value="-3.0206" />
+  <D value="0.000089811" />
+  <E value="-0.0000040241" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4262.4" />
+  <B value="646.34" />
+  <C value="-0.39482" />
+  <D value="0.000090736" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1400.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.532079" />
+  <B value="-2800" />
+  <C value="-16.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.759" />
+  <B value="3497.1" />
+  <C value="-48.009" />
+  <Tmin units="K"  value="337.04" />
+  <Tmax units="K"  value="503.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9833" />
+  <B value="-0.011196" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="389.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.395333" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.808274E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.4942" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="135.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0520369" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.877796" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.456" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13387" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.8266" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.192" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.456" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13387" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-19-0" />
+<Smiles name="SMILES"  value="CC(=O)OCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1357" />
+<CompoundID name="Name"  value="N-pentyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2(CH2)3CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.442" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="422.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="202.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="202.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0185761" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149382" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.413866" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.772E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08346" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.184E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.055E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.035E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="481800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.65E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.089933" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.89405E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3057" />
+  <B value="-0.0050955" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.94" />
+  <Tmax units="K"  value="202.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12608" />
+  <B value="0.12252" />
+  <C value="605.15" />
+  <D value="0.16886" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="168.7214" />
+  <B value="-11229.65" />
+  <C value="-22.11732" />
+  <D value="0.0000177213" />
+  <E value="2" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="600" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.883914E+07" />
+  <B value="0.946213" />
+  <C value="-0.171734" />
+  <D value="-0.730153" />
+  <E value="0.419139" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="605.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="162580" />
+  <B value="80.092" />
+  <C value="8.5511" />
+  <D value="0.011513" />
+  <E value="-0.0000095523" />
+  <Tmin units="K"  value="209.3" />
+  <Tmax units="K"  value="439" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47433" />
+  <B value="-339.24" />
+  <C value="12.756" />
+  <D value="0.0005476" />
+  <E value="-2.1862E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34111" />
+  <B value="-397.41" />
+  <C value="-63.466" />
+  <D value="-56487" />
+  <E value="116110" />
+  <Tmin units="K"  value="299" />
+  <Tmax units="K"  value="1913" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.376" />
+  <B value="1661.3" />
+  <C value="2.1378" />
+  <D value="-0.0000051198" />
+  <E value="2" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="480" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6095E-07" />
+  <B value="0.57889" />
+  <C value="337.64" />
+  <D value="-259.28" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.08346" />
+  <B value="4.4855" />
+  <C value="-1.2866" />
+  <D value="-0.00064282" />
+  <E value="-6.6262E-07" />
+  <Tmin units="K"  value="179.4" />
+  <Tmax units="K"  value="469.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.014827" />
+  <B value="0.47704" />
+  <C value="-3337.4" />
+  <D value="-1003300" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012757" />
+  <B value="49.233" />
+  <C value="-3.1535" />
+  <D value="0.00024702" />
+  <E value="-0.000004004" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18598" />
+  <B value="795.27" />
+  <C value="-0.51713" />
+  <D value="0.00013022" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.762874" />
+  <B value="-3450" />
+  <C value="-20.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.171" />
+  <B value="4226.8" />
+  <C value="-24.15" />
+  <Tmin units="K"  value="364.25" />
+  <Tmax units="K"  value="538.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0509" />
+  <B value="-0.012995" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="480" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.455324" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.686343E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.9046" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="155.86" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0596961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880404" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.413866" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149382" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.5018" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447773" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149382" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="628-63-7" />
+<Smiles name="SMILES"  value="CC(=O)OCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1321" />
+<CompoundID name="Name"  value="Vinyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCHCH2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="501.45" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.266" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="345.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.70586" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0929486" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.529352" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.969E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18580" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04928" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.26E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.157E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.287E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5370000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.28" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.95E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.585" />
+  <B value="-0.0095513" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.14" />
+  <Tmax units="K"  value="180.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.80837" />
+  <B value="0.2388" />
+  <C value="524.34" />
+  <D value="0.25151" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="524.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-28.90631" />
+  <B value="-2451.071" />
+  <C value="8.43748" />
+  <D value="-0.000014969" />
+  <E value="2" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="519.13" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.178411E+07" />
+  <B value="1.329393" />
+  <C value="-3.127105" />
+  <D value="3.542901" />
+  <E value="-1.384803" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="501.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="115760" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="501.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104670" />
+  <B value="68.241" />
+  <C value="7.8309" />
+  <D value="0.01301" />
+  <E value="-0.00001011" />
+  <Tmin units="K"  value="213.41" />
+  <Tmax units="K"  value="389.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50651" />
+  <B value="-432.89" />
+  <C value="12.118" />
+  <D value="0.00048734" />
+  <E value="-1.8964E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18283" />
+  <B value="-191.61" />
+  <C value="-27.209" />
+  <D value="-6457.2" />
+  <E value="8397.1" />
+  <Tmin units="K"  value="259.56" />
+  <Tmax units="K"  value="1890.57" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.187" />
+  <B value="1398" />
+  <C value="1.3362" />
+  <D value="8.2076E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="345.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4727E-07" />
+  <B value="0.76076" />
+  <C value="119.27" />
+  <D value="67.359" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.068153" />
+  <B value="28.848" />
+  <C value="-1.5016" />
+  <D value="0.00051317" />
+  <E value="-0.0000030057" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="410" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5281900" />
+  <B value="-0.16154" />
+  <C value="2.8419E+09" />
+  <D value="-1.7045E+13" />
+  <Tmin units="K"  value="276.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044907" />
+  <B value="310.64" />
+  <C value="-6.6728" />
+  <D value="0.014871" />
+  <E value="-0.000027076" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="501.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21072" />
+  <B value="300.62" />
+  <C value="-0.12074" />
+  <D value="0.000010448" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.328" />
+  <B value="2885.8" />
+  <C value="-51.534" />
+  <Tmin units="K"  value="301.95" />
+  <Tmax units="K"  value="447.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1171" />
+  <B value="-0.012291" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="345.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261926" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.395338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="216.355" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="89.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0355767" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.941" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.351307" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0929486" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2485" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.904" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.351307" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18580" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0929486" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-05-4" />
+<Smiles name="SMILES"  value="CC(=O)OC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1363" />
+<CompoundID name="Name"  value="N-hexyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2(CH2)4CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="623.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.519" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000851561" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="144.211" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.166008" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.461433" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.16E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09369" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.319E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.263E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.954E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="520900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.69E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.17" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.505E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.5065" />
+  <B value="-0.0055309" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.9" />
+  <Tmax units="K"  value="192.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.39801" />
+  <B value="0.22828" />
+  <C value="623.5" />
+  <D value="0.26879" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="595.59" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="135.2" />
+  <B value="-10778" />
+  <C value="-16.633" />
+  <D value="0.000010146" />
+  <E value="2" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.6365E+07" />
+  <B value="1.3535" />
+  <C value="-2.7266" />
+  <D value="3.0189" />
+  <E value="-1.2516" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="234920" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="623.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152410" />
+  <B value="849.23" />
+  <C value="3.575" />
+  <D value="0.024024" />
+  <E value="-0.000019964" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74275" />
+  <B value="-423.1" />
+  <C value="13.088" />
+  <D value="0.00020721" />
+  <E value="-5.6794E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26575" />
+  <B value="-251.71" />
+  <C value="-141.73" />
+  <D value="30213" />
+  <E value="-150230" />
+  <Tmin units="K"  value="309" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.853" />
+  <B value="1437.9" />
+  <C value="0.03568" />
+  <D value="-1.5887E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001052" />
+  <B value="0.76244" />
+  <C value="141.7" />
+  <D value="-5217.3" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.076217" />
+  <B value="432.06" />
+  <C value="-6.6217" />
+  <D value="0.014354" />
+  <E value="-0.00002134" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-96.991" />
+  <B value="-0.0010535" />
+  <C value="51726" />
+  <D value="-1.0193E+09" />
+  <Tmin units="K"  value="444.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016381" />
+  <B value="19.416" />
+  <C value="-2.8226" />
+  <D value="-0.00062558" />
+  <E value="-0.000002447" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13149" />
+  <B value="859.66" />
+  <C value="-0.53308" />
+  <D value="0.00012944" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.124" />
+  <B value="3454.4" />
+  <C value="-83.742" />
+  <Tmin units="K"  value="380.55" />
+  <Tmax units="K"  value="550.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9193" />
+  <B value="-0.015758" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.517431" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.148912E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.719" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="176.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0672192" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.87832" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.461433" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.166008" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1762" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.276" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.539588" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17200" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.166008" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-92-7" />
+<Smiles name="SMILES"  value="CCCCCCOC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1109" />
+<CompoundID name="Name"  value="1-pentanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)4OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="588.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3909000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.326" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411.16" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="194.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000345245" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10863" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.579" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.679E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22520" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06263" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.98E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.0016E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.46022E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402501" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9790560" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3176" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.06051E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.8" />
+  <B value="7.9473E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="205.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54137" />
+  <B value="0.21848" />
+  <C value="588.15" />
+  <D value="0.20812" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="150.9933" />
+  <B value="-11938.85" />
+  <C value="-18.59103" />
+  <D value="8.735585E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1853E+08" />
+  <B value="1.9668" />
+  <C value="-2.5741" />
+  <D value="1.6268" />
+  <E value="-0.41037" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15533" />
+  <B value="1421.2" />
+  <C value="-4.9071" />
+  <D value="-0.013872" />
+  <E value="0.00011092" />
+  <Tmin units="K"  value="21.61" />
+  <Tmax units="K"  value="195.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151460" />
+  <B value="721.52" />
+  <C value="-3.5691" />
+  <D value="0.059604" />
+  <E value="-0.000063767" />
+  <Tmin units="K"  value="200.14" />
+  <Tmax units="K"  value="390" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78144" />
+  <B value="-573.83" />
+  <C value="12.781" />
+  <D value="0.00015431" />
+  <E value="-6.6745E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24054" />
+  <B value="-258.72" />
+  <C value="-37.585" />
+  <D value="50573" />
+  <E value="-237590" />
+  <Tmin units="K"  value="294.05" />
+  <Tmax units="K"  value="1871.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.696" />
+  <B value="3126.2" />
+  <C value="2.4167" />
+  <D value="-0.0000024327" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9935E-07" />
+  <B value="0.70293" />
+  <C value="200.97" />
+  <D value="-2040.7" />
+  <Tmin units="K"  value="277.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14679" />
+  <B value="201570" />
+  <C value="-2097.5" />
+  <D value="7.255" />
+  <E value="-0.0083973" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1221.5" />
+  <B value="0.95117" />
+  <C value="8.0014E+09" />
+  <D value="-2.8255E+11" />
+  <Tmin units="K"  value="324.42" />
+  <Tmax units="K"  value="990.95" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.066781" />
+  <B value="-45.948" />
+  <C value="-1.8289" />
+  <D value="-0.0013347" />
+  <E value="-5.553E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="45979" />
+  <B value="140.41" />
+  <C value="0.78405" />
+  <D value="-0.0011412" />
+  <E value="4.6619E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.20079" />
+  <B value="-6950" />
+  <C value="-41.7" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.459" />
+  <B value="3044" />
+  <C value="-104.53" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="526.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.4416" />
+  <B value="-0.023533" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335285" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.40751E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="309.2331" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.0103" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0436411" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.819862" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.579" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10863" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5987" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.208" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.3301" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.579" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22520" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10863" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-41-0" />
+<Smiles name="SMILES"  value="CCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1110" />
+<CompoundID name="Name"  value="2-pentanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.327" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="200" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00596587" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.109448" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.674371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.619E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.39E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06262" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.97E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.138E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.593E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="396400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8480000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.47" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0515E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.7" />
+  <B value="4.0224E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.319" />
+  <B value="0.3371" />
+  <C value="552" />
+  <D value="0.32218" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.6278" />
+  <B value="-11701.22" />
+  <C value="-19.61134" />
+  <D value="0.0000119964" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="560.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.4515E+07" />
+  <B value="0.5603" />
+  <C value="0.52669" />
+  <D value="-1.3675" />
+  <E value="0.83639" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="158590" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="552" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="223900" />
+  <B value="2827.9" />
+  <C value="-24.806" />
+  <D value="0.11426" />
+  <E value="-0.00010479" />
+  <Tmin units="K"  value="276" />
+  <Tmax units="K"  value="420.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81533" />
+  <B value="-562.17" />
+  <C value="12.749" />
+  <D value="0.00015514" />
+  <E value="-6.2807E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24133" />
+  <B value="-247.23" />
+  <C value="-35.04" />
+  <D value="43362" />
+  <E value="-173350" />
+  <Tmin units="K"  value="280.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-161.5575" />
+  <B value="9388.477" />
+  <C value="22.02304" />
+  <D value="-0.0000121894" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="448.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2586E-07" />
+  <B value="0.63457" />
+  <C value="242.49" />
+  <D value="-572.84" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.29342" />
+  <B value="50.682" />
+  <C value="-1.2923" />
+  <D value="0.0017888" />
+  <E value="-0.0000028966" />
+  <Tmin units="K"  value="165.6" />
+  <Tmax units="K"  value="435.6" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1300.2" />
+  <B value="0.95377" />
+  <C value="8.1158E+09" />
+  <D value="-2.9211E+11" />
+  <Tmin units="K"  value="392.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024272" />
+  <B value="-6.3975" />
+  <C value="-2.6095" />
+  <D value="-0.0005545" />
+  <E value="-0.0000026816" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5418.5" />
+  <B value="517.97" />
+  <C value="-0.28727" />
+  <D value="0.000060797" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.96" />
+  <B value="-6855" />
+  <C value="-41.13" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.365" />
+  <B value="2787.1" />
+  <C value="-109.05" />
+  <Tmin units="K"  value="332.74" />
+  <Tmax units="K"  value="484.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="5.5268" />
+  <B value="-0.036204" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="448.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335229" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.473307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.3295" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427674" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813156" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.674371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109448" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5979" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.204" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.558707" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21700" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109448" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6032-29-7" />
+<Smiles name="SMILES"  value="CCCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1112" />
+<CompoundID name="Name"  value="2-methyl-1-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="575.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3940000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000803" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1083" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.587733" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.437E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22080" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0593" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.484E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.0209E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.41E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7430000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0182" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.062E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.886" />
+  <B value="-0.00826" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="195" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88123" />
+  <B value="0.27569" />
+  <C value="576.16" />
+  <D value="0.26459" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="576.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="169.4054" />
+  <B value="-12535.91" />
+  <C value="-21.44821" />
+  <D value="0.000011664" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="575.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.7446E+08" />
+  <B value="5.4789" />
+  <C value="-13.886" />
+  <D value="15.653" />
+  <E value="-6.6531" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="560.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5555.3" />
+  <B value="806.4" />
+  <C value="-0.95225" />
+  <D value="0.0022801" />
+  <E value="-0.0000033301" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="195" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64512" />
+  <B value="-115.41" />
+  <C value="11.54" />
+  <D value="0.0018322" />
+  <E value="0.0000027168" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="401.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76232" />
+  <B value="-567.6" />
+  <C value="12.811" />
+  <D value="0.000074113" />
+  <E value="-1.3012E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17011" />
+  <B value="-182.68" />
+  <C value="-48.25" />
+  <D value="18476" />
+  <E value="-142510" />
+  <Tmin units="K"  value="287.7" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.00893998" />
+  <B value="2796.534" />
+  <C value="-2.732303" />
+  <D value="0.0000087109" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000000189" />
+  <B value="0.70643" />
+  <C value="185.92" />
+  <D value="-6046.6" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.080313" />
+  <B value="-215.29" />
+  <C value="-0.17577" />
+  <D value="-0.0076457" />
+  <E value="0.000003672" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="401.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1262.3" />
+  <B value="0.94565" />
+  <C value="7.7547E+09" />
+  <D value="-2.8418E+11" />
+  <Tmin units="K"  value="401.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.06667" />
+  <B value="21.081" />
+  <C value="-2.2968" />
+  <D value="-0.00031727" />
+  <E value="-8.1113E-07" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="555.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1715" />
+  <B value="532.87" />
+  <C value="-0.30305" />
+  <D value="0.000069112" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.47" />
+  <B value="-7815" />
+  <C value="-46.89" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="2696.4" />
+  <C value="-119.16" />
+  <Tmin units="K"  value="345.65" />
+  <Tmax units="K"  value="515.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.7162" />
+  <B value="-0.0329" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.316767" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.171827E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.643" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.2374" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0430983" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.823885" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.587733" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5979" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.204" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-6.2448" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.587733" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22080" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1083" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="137-32-6" />
+<Smiles name="SMILES"  value="OCC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1113" />
+<CompoundID name="Name"  value="2,2-dimethyl-1-propanol" />
+<StructureFormula name="Structure"  value="(CH3)3CCH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4078000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.327" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.29" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="386.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="328.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="328.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8050" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1255" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.595013" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.388E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06261" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.17E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.021E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.4E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3500000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1247" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.061E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9642" />
+  <B value="-0.0024076" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="242.1" />
+  <Tmax units="K"  value="328.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88741" />
+  <B value="0.29" />
+  <C value="552.7" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="552.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="192.4683" />
+  <B value="-12413.62" />
+  <C value="-25.59931" />
+  <D value="0.0000246643" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="552.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5224E+07" />
+  <B value="-1.2435" />
+  <C value="2.138" />
+  <D value="0.13988" />
+  <E value="-0.73989" />
+  <Tmin units="K"  value="274.2" />
+  <Tmax units="K"  value="552.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2.6373E+07" />
+  <B value="-380330" />
+  <C value="2052.3" />
+  <D value="-4.8887" />
+  <E value="0.004351" />
+  <Tmin units="K"  value="242.1" />
+  <Tmax units="K"  value="328.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124850" />
+  <B value="368.96" />
+  <C value="4.9094" />
+  <D value="0.027472" />
+  <E value="-0.00002893" />
+  <Tmin units="K"  value="294.4" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72294.67" />
+  <B value="-550.0374" />
+  <C value="12.86817" />
+  <D value="0.000039202" />
+  <E value="-1.255351E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22295" />
+  <B value="-222.2" />
+  <C value="-30.28" />
+  <D value="12264" />
+  <E value="-130500" />
+  <Tmin units="K"  value="276.35" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.693" />
+  <B value="3446.8" />
+  <C value="-0.71456" />
+  <D value="0.0000011322" />
+  <E value="2" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000021696" />
+  <B value="0.15612" />
+  <C value="1926.2" />
+  <D value="5137.4" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11602" />
+  <B value="10.416" />
+  <C value="-1.227" />
+  <D value="-0.00033355" />
+  <E value="-0.00000113" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="435" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.2842E-07" />
+  <B value="1.9773" />
+  <C value="-61.933" />
+  <D value="2946" />
+  <Tmin units="K"  value="386.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0041579" />
+  <B value="905.49" />
+  <C value="-11.129" />
+  <D value="0.02249" />
+  <E value="-0.000027579" />
+  <Tmin units="K"  value="327.15" />
+  <Tmax units="K"  value="552.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="56025" />
+  <B value="298.25" />
+  <C value="-0.0082083" />
+  <D value="-0.000042003" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.2" />
+  <B value="-4175" />
+  <C value="-25.05" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.192" />
+  <B value="2694.4" />
+  <C value="-107.63" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="490.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.1165" />
+  <B value="-0.028526" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.678278E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="418.8277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.29" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.4275" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0437982" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.735646" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.595013" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1255" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5972" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.284" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.9571" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.595013" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1255" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-84-3" />
+<Smiles name="SMILES"  value="OCC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1114" />
+<CompoundID name="Name"  value="1-hexanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)5OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="611.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3510000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.381" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="430.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="228.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="228.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0295499" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12519" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.58" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.144E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0728599" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.033E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.18E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.344E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.54E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.34" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.67439E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.939" />
+  <B value="-0.00020832" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="238.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12172" />
+  <B value="0.11263" />
+  <C value="611.4" />
+  <D value="0.13194" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="140.4065" />
+  <B value="-11996.05" />
+  <C value="-16.8497" />
+  <D value="6.25688E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9912E+07" />
+  <B value="1.0345" />
+  <C value="-0.71214" />
+  <D value="0.038869" />
+  <E value="0.22103" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19775" />
+  <B value="1482.2" />
+  <C value="-5.3111" />
+  <D value="0.0052486" />
+  <E value="0.000017593" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="200" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-13352" />
+  <B value="695.57" />
+  <C value="4.4864" />
+  <D value="0.026504" />
+  <E value="-0.000025444" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93733" />
+  <B value="-618.92" />
+  <C value="13.098" />
+  <D value="-0.000028541" />
+  <E value="-8.6478E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28103" />
+  <B value="-313.61" />
+  <C value="-50.106" />
+  <D value="92563" />
+  <E value="-384560" />
+  <Tmin units="K"  value="305.15" />
+  <Tmax units="K"  value="1955.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.019" />
+  <B value="5186.5" />
+  <C value="9.8395" />
+  <D value="-0.0000094042" />
+  <E value="2" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3121E-07" />
+  <B value="0.66402" />
+  <C value="127.06" />
+  <D value="17987" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.09203" />
+  <B value="1297.6" />
+  <C value="-15.712" />
+  <D value="0.045447" />
+  <E value="-0.000056017" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="575" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2143900" />
+  <B value="-0.092957" />
+  <C value="1.682E+08" />
+  <D value="-1.0339E+13" />
+  <Tmin units="K"  value="290.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035783" />
+  <B value="66.822" />
+  <C value="-3.0656" />
+  <D value="0.00092964" />
+  <E value="-0.000002544" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="56405" />
+  <B value="141.84" />
+  <C value="0.99233" />
+  <D value="-0.0014257" />
+  <E value="5.8077E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.45024" />
+  <B value="-6650" />
+  <C value="-39.9" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.645" />
+  <B value="2705.5" />
+  <C value="-133.98" />
+  <Tmin units="K"  value="369.19" />
+  <Tmax units="K"  value="550.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.3202" />
+  <B value="-0.022361" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.393259" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.718511E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="325.8963" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0505795" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.822536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12519" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.748" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.58" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12519" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-27-3" />
+<Smiles name="SMILES"  value="CCCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1125" />
+<CompoundID name="Name"  value="1-heptanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)6OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="631.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="449.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="239.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="239.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0117728" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.203" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14195" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.582" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.38E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0830899" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.32E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.253E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="480000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.322E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1804" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2887E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.68" />
+  <B value="1.2716E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="248.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53584" />
+  <B value="0.24833" />
+  <C value="632.61" />
+  <D value="0.25556" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="632.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="251.8216" />
+  <B value="-17683.63" />
+  <C value="-33.48375" />
+  <D value="0.000017626" />
+  <E value="2" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="632.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.173181E+08" />
+  <B value="1.489028" />
+  <C value="-2.632241" />
+  <D value="3.547284" />
+  <E value="-1.892409" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="611.89" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12012" />
+  <B value="1881.5" />
+  <C value="-12.305" />
+  <D value="0.047146" />
+  <E value="-0.000063007" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="239.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-85727" />
+  <B value="742.02" />
+  <C value="4.7157" />
+  <D value="0.026441" />
+  <E value="-0.000025674" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106760" />
+  <B value="-598.85" />
+  <C value="13.165" />
+  <D value="0.000054117" />
+  <E value="-4.1018E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37446" />
+  <B value="-455.4" />
+  <C value="-40.107" />
+  <D value="86814" />
+  <E value="-437570" />
+  <Tmin units="K"  value="312" />
+  <Tmax units="K"  value="1735.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.864" />
+  <B value="5896.7" />
+  <C value="9.4721" />
+  <D value="-3.3466E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="465.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5718E-07" />
+  <B value="0.65021" />
+  <C value="248.54" />
+  <D value="12.534" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.090359" />
+  <B value="1107.5" />
+  <C value="-13.417" />
+  <D value="0.037115" />
+  <E value="-0.000045589" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="573.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.060066" />
+  <B value="0.28898" />
+  <C value="-3437.9" />
+  <D value="-1686200" />
+  <Tmin units="K"  value="449.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043165" />
+  <B value="-13.275" />
+  <C value="-2.2347" />
+  <D value="-0.0011614" />
+  <E value="-3.9773E-07" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="611.89" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="65975" />
+  <B value="149.85" />
+  <C value="1.1826" />
+  <D value="-0.0016895" />
+  <E value="6.8694E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.03" />
+  <B value="-5875" />
+  <C value="-35.25" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.467" />
+  <B value="2769.6" />
+  <C value="-139.94" />
+  <Tmin units="K"  value="379.55" />
+  <Tmax units="K"  value="563.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.6144" />
+  <B value="-0.022444" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="465.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.453119" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.086625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.6932" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.53641" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577626" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.726944" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.582" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14195" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.748" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4631" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.582" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21540" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14195" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-70-6" />
+<Smiles name="SMILES"  value="OCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1241" />
+<CompoundID name="Name"  value="1,4-butanediol" />
+<StructureFormula name="Structure"  value="HO(CH2)4OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="667" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.297" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="501.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="293.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="293.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.437872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0888513" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.17696" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.582E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28850" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.057" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.32E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.267E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.78E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.63E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.1" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2801E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.325" />
+  <B value="-0.0054395" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="117.22" />
+  <Tmax units="K"  value="293.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.87669" />
+  <B value="0.26038" />
+  <C value="667" />
+  <D value="0.18382" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="273.87" />
+  <B value="-20688" />
+  <C value="-36.39" />
+  <D value="0.000020662" />
+  <E value="2" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.835E+07" />
+  <B value="0.2441" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13695" />
+  <B value="403.81" />
+  <C value="2.0198" />
+  <D value="-0.012355" />
+  <E value="0.000021703" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-147300" />
+  <B value="-151.29" />
+  <C value="13.013" />
+  <D value="0.00082927" />
+  <E value="-4.8483E-07" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78857" />
+  <B value="-613.48" />
+  <C value="12.793" />
+  <D value="-0.00013274" />
+  <E value="6.7309E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.047517" />
+  <B value="224.57" />
+  <C value="-206.02" />
+  <D value="728640" />
+  <E value="-3209200" />
+  <Tmin units="K"  value="333" />
+  <Tmax units="K"  value="1833" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-135.2818" />
+  <B value="9167.078" />
+  <C value="18.06409" />
+  <D value="-0.0000115446" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0592E-07" />
+  <B value="0.79673" />
+  <C value="195.38" />
+  <D value="-19182" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.17847" />
+  <B value="-272.57" />
+  <C value="-0.42428" />
+  <D value="-0.0080796" />
+  <E value="0.0000034419" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.69878" />
+  <B value="0.86746" />
+  <C value="-2810400" />
+  <D value="-7.1005E+07" />
+  <Tmin units="K"  value="500" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.16365" />
+  <B value="1.8545" />
+  <C value="-1.4959" />
+  <D value="-0.00012211" />
+  <E value="-5.0965E-07" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7294.7" />
+  <B value="466.9" />
+  <C value="-0.2818" />
+  <D value="0.000069184" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.49" />
+  <B value="-10000" />
+  <C value="-95.7" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.877" />
+  <B value="5782.7" />
+  <C value="-67.663" />
+  <Tmin units="K"  value="408.15" />
+  <Tmax units="K"  value="588.27" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.9232" />
+  <B value="-0.026397" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304068" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.240152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.8955" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="98.92" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0406687" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.021037" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.17696" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0888513" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6976" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.56" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.17696" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="28850" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0888513" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-63-4" />
+<Smiles name="SMILES"  value="OCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1801" />
+<CompoundID name="Name"  value="Methyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="470" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.145" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="279.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="150.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="150.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.14785" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="48.109" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05552" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.15" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.606E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.39E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9920000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="255000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5904000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89544" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1517E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.366" />
+  <B value="-0.020311" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.07" />
+  <Tmax units="K"  value="150.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.954" />
+  <B value="0.28171" />
+  <C value="470" />
+  <D value="0.28737" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="453.12" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.1598" />
+  <B value="-6300.053" />
+  <C value="-14.66478" />
+  <D value="0.0000195265" />
+  <E value="2" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.221375E+07" />
+  <B value="-0.00310105" />
+  <C value="0.657759" />
+  <D value="-0.0249162" />
+  <E value="-0.340052" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10842" />
+  <B value="883.79" />
+  <C value="1.0741" />
+  <D value="-0.071254" />
+  <E value="0.00032202" />
+  <Tmin units="K"  value="14.96" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87318" />
+  <B value="-59222" />
+  <C value="550.29" />
+  <D value="-1.6599" />
+  <E value="0.001702" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="298.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38535" />
+  <B value="-588.35" />
+  <C value="11.232" />
+  <D value="0.00044782" />
+  <E value="-1.6363E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.086994" />
+  <B value="-107.34" />
+  <C value="-7.9703" />
+  <D value="-15.158" />
+  <E value="-109.37" />
+  <Tmin units="K"  value="235" />
+  <Tmax units="K"  value="1880" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.947" />
+  <B value="607.01" />
+  <C value="-0.26447" />
+  <D value="0.0000011807" />
+  <E value="2" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9969E-07" />
+  <B value="0.74097" />
+  <C value="130.67" />
+  <D value="-839.04" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.011242" />
+  <B value="-11.424" />
+  <C value="-1.1701" />
+  <D value="-0.0017729" />
+  <E value="-0.0000012043" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000024689" />
+  <B value="1.1702" />
+  <C value="4.7184" />
+  <D value="35466" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01346" />
+  <B value="41.423" />
+  <C value="-3.0112" />
+  <D value="0.0013607" />
+  <E value="-0.000009249" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34247" />
+  <B value="10.917" />
+  <C value="0.21543" />
+  <D value="-0.00026706" />
+  <E value="1.0044E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.379" />
+  <B value="2532.6" />
+  <C value="-21.919" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="419.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1431" />
+  <B value="-0.015082" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.150999" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.759988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.0997" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="48.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4449" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0220648" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863192" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.877" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.676" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.529899" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.141244" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="60"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="60"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="59"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-93-1" />
+<Smiles name="SMILES"  value="CS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1803" />
+<CompoundID name="Name"  value="N-propyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4520000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="340.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0651025" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1606" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0911676" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.225" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.88328E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.75E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2700000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5477000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82526" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.345E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.174" />
+  <B value="-0.011629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.98" />
+  <Tmax units="K"  value="159.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98491" />
+  <B value="0.2613" />
+  <C value="536.61" />
+  <D value="0.28105" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="536.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.44938" />
+  <B value="-6196.556" />
+  <C value="-9.018418" />
+  <D value="0.0000073391" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="536.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.183879E+07" />
+  <B value="-0.0306824" />
+  <C value="1.010385" />
+  <D value="-0.640892" />
+  <E value="-0.0194755" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="516.78" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15951" />
+  <B value="1376.4" />
+  <C value="-8.0131" />
+  <D value="0.022215" />
+  <E value="8.4808E-07" />
+  <Tmin units="K"  value="18.62" />
+  <Tmax units="K"  value="136.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104970" />
+  <B value="204.83" />
+  <C value="8.2793" />
+  <D value="0.0048108" />
+  <E value="0.0000020317" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="440" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69258" />
+  <B value="-718.05" />
+  <C value="12.587" />
+  <D value="-0.000090812" />
+  <E value="1.349E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16509" />
+  <B value="-214.88" />
+  <C value="-18.784" />
+  <D value="-1765.2" />
+  <E value="1192.4" />
+  <Tmin units="K"  value="266.5" />
+  <Tmax units="K"  value="1599" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.6328" />
+  <B value="806.3" />
+  <C value="-0.3609" />
+  <D value="0.0000011977" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.0609E-07" />
+  <B value="0.72623" />
+  <C value="217.41" />
+  <D value="-10810" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061115" />
+  <B value="3.3836" />
+  <C value="-1.3478" />
+  <D value="-0.00049487" />
+  <E value="-0.0000016211" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0088953" />
+  <B value="0.51444" />
+  <C value="2337.9" />
+  <D value="345110" />
+  <Tmin units="K"  value="340.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074449" />
+  <B value="194.68" />
+  <C value="-5.0277" />
+  <D value="0.0075386" />
+  <E value="-0.000015012" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="516.78" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18723" />
+  <B value="294.36" />
+  <C value="-0.1308" />
+  <D value="0.000019418" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.047" />
+  <B value="-2970" />
+  <C value="-17.82" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="440" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.949" />
+  <B value="2807" />
+  <C value="-42.818" />
+  <Tmin units="K"  value="322.03" />
+  <Tmax units="K"  value="477.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3587" />
+  <B value="-0.015176" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.260086" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.842493E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.6357" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.03201" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.09328" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0359885" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84534" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.225" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0911676" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2265" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.756" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.326" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.225" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18020" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0911676" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-03-9" />
+<Smiles name="SMILES"  value="CCCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1804" />
+<CompoundID name="Name"  value="Tert-butyl mercaptan" />
+<StructureFormula name="Structure"  value="C(CH3)3SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.283" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="274.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="274.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7907.71" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.113524" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.191395" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.185E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05915" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.096E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1006000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2482000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89359" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9396E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.536" />
+  <B value="-0.0047128" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="109.7" />
+  <Tmax units="K"  value="274.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89711" />
+  <B value="0.27544" />
+  <C value="530" />
+  <D value="0.31359" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.5154" />
+  <B value="-7030.549" />
+  <C value="-13.1586" />
+  <D value="0.0000127338" />
+  <E value="2" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3137E+07" />
+  <B value="1.4502" />
+  <C value="-2.4713" />
+  <D value="2.4297" />
+  <E value="-0.95458" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19552" />
+  <B value="2145.8" />
+  <C value="-26.593" />
+  <D value="0.17311" />
+  <E value="-0.00034631" />
+  <Tmin units="K"  value="12.35" />
+  <Tmax units="K"  value="176.87" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="154160" />
+  <B value="506.03" />
+  <C value="1.848" />
+  <D value="0.027991" />
+  <E value="-0.000021961" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81989" />
+  <B value="-677.66" />
+  <C value="12.907" />
+  <D value="-0.00021031" />
+  <E value="4.8543E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15748" />
+  <B value="-135.94" />
+  <C value="-33.617" />
+  <D value="1896.4" />
+  <E value="-6191.8" />
+  <Tmin units="K"  value="262" />
+  <Tmax units="K"  value="1834" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.3337" />
+  <B value="1214.8" />
+  <C value="-0.59208" />
+  <D value="0.0000022318" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9123E-07" />
+  <B value="0.6395" />
+  <C value="316.74" />
+  <D value="-8533.3" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.031454" />
+  <B value="-260.91" />
+  <C value="0.599" />
+  <D value="-0.0079027" />
+  <E value="0.0000031638" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.032499" />
+  <B value="0.31482" />
+  <C value="1562.3" />
+  <D value="775320" />
+  <Tmin units="K"  value="337.37" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003175" />
+  <B value="737.78" />
+  <C value="-10.123" />
+  <D value="0.022698" />
+  <E value="-0.000032367" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="11171" />
+  <B value="439.34" />
+  <C value="-0.24387" />
+  <D value="0.000049974" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.422" />
+  <B value="-2740" />
+  <C value="-16.44" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.619" />
+  <B value="2629" />
+  <C value="-48.233" />
+  <Tmin units="K"  value="318.35" />
+  <Tmax units="K"  value="476.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3141" />
+  <B value="-0.013773" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315937" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.725508E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="367.8072" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.283" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.489" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.862" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427884" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.80482" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.191395" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.113524" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.3543" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.2573" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.191395" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.113524" />
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-66-1" />
+<Smiles name="SMILES"  value="CC(C)(C)S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1805" />
+<CompoundID name="Name"  value="Isobutyl mercaptan" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361.64" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="128.31" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="128.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.75023E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.108751" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.455E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.4528E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.694E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6100000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="362840" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4982300" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91991" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.949E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.835" />
+  <B value="-0.012799" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.32" />
+  <Tmax units="K"  value="128.31" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97433" />
+  <B value="0.28543" />
+  <C value="557" />
+  <D value="0.30684" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.36165" />
+  <B value="-7005.04" />
+  <C value="-10.97315" />
+  <D value="8.971409E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="559" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.696233E+07" />
+  <B value="0.280539" />
+  <C value="0.393074" />
+  <D value="-0.340509" />
+  <E value="0.0160184" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14787" />
+  <B value="1720.7" />
+  <C value="-15.027" />
+  <D value="0.082237" />
+  <E value="-0.00013773" />
+  <Tmin units="K"  value="12.41" />
+  <Tmax units="K"  value="128.31" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113680" />
+  <B value="117.72" />
+  <C value="9.1822" />
+  <D value="0.0046628" />
+  <E value="2.8876E-09" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="470" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83649" />
+  <B value="-694.35" />
+  <C value="12.849" />
+  <D value="-0.00014111" />
+  <E value="3.1023E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19029" />
+  <B value="-182.14" />
+  <C value="-34.378" />
+  <D value="-7197.6" />
+  <E value="12309" />
+  <Tmin units="K"  value="271.5" />
+  <Tmax units="K"  value="1629" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.885" />
+  <B value="935.58" />
+  <C value="0.015703" />
+  <D value="-1.4837E-10" />
+  <E value="2" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5691E-08" />
+  <B value="0.8336" />
+  <C value="119.56" />
+  <D value="-8012" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03575" />
+  <B value="3.5477" />
+  <C value="-1.4952" />
+  <D value="-0.00050318" />
+  <E value="-0.0000017356" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014532" />
+  <B value="0.98673" />
+  <C value="557.5" />
+  <D value="22542" />
+  <Tmin units="K"  value="361.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.019478" />
+  <B value="11.024" />
+  <C value="-2.7575" />
+  <D value="-0.00056011" />
+  <E value="-0.0000029228" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18204" />
+  <B value="396.93" />
+  <C value="-0.19558" />
+  <D value="0.000034612" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.932" />
+  <B value="2967.3" />
+  <C value="-46.193" />
+  <Tmin units="K"  value="338.12" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0171" />
+  <B value="-0.018678" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315992" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.112178E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.7267" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.556" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55718" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427712" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.83847" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.108751" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9001" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.292" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2753" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17240" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.108751" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="3"  value="1" />
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="3"  value="1" />
+  <group id="1"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="513-44-0" />
+<Smiles name="SMILES"  value="CC(C)CS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1806" />
+<CompoundID name="Name"  value="Sec-butyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2CH(SH)CH3" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="551" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="358.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="133.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.01" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000339902" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10943" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.362E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.66E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5200000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366730" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6477000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85933" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.95E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.628" />
+  <B value="-0.011085" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.21" />
+  <Tmax units="K"  value="133.02" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81743" />
+  <B value="0.26237" />
+  <C value="554.01" />
+  <D value="0.28149" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="554" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.20348" />
+  <B value="-6580.804" />
+  <C value="-9.568603" />
+  <D value="0.0000075683" />
+  <E value="2" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="554" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.567571E+07" />
+  <B value="0.16352" />
+  <C value="0.885588" />
+  <D value="-1.131485" />
+  <E value="0.438377" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="531.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14348" />
+  <B value="1684.2" />
+  <C value="-14.306" />
+  <D value="0.073175" />
+  <E value="-0.00012364" />
+  <Tmin units="K"  value="12.44" />
+  <Tmax units="K"  value="133.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="132220" />
+  <B value="286.96" />
+  <C value="6.629" />
+  <D value="0.011753" />
+  <E value="-0.0000059086" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="470" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85634" />
+  <B value="-697.09" />
+  <C value="12.792" />
+  <D value="-0.00003836" />
+  <E value="-5.0229E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15286" />
+  <B value="-191.11" />
+  <C value="-37.033" />
+  <D value="3742.9" />
+  <E value="-12255" />
+  <Tmin units="K"  value="270.5" />
+  <Tmax units="K"  value="1623" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.718" />
+  <B value="953.76" />
+  <C value="0.15985" />
+  <D value="-4.5581E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.4539E-08" />
+  <B value="0.83594" />
+  <C value="117.21" />
+  <D value="-7872.1" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032852" />
+  <B value="4.221" />
+  <C value="-1.5207" />
+  <D value="-0.0004702" />
+  <E value="-0.0000018598" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.97519" />
+  <B value="-0.11286" />
+  <C value="1130.7" />
+  <D value="3149700" />
+  <Tmin units="K"  value="358.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016327" />
+  <B value="13.06" />
+  <C value="-2.6627" />
+  <D value="-0.0011001" />
+  <E value="-0.0000030132" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="531.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="22301" />
+  <B value="378.69" />
+  <C value="-0.16891" />
+  <D value="0.000025206" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.77" />
+  <B value="-2825" />
+  <C value="-16.95" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="440" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.911" />
+  <B value="2934.9" />
+  <C value="-45.402" />
+  <Tmin units="K"  value="332.43" />
+  <Tmax units="K"  value="490" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.1814" />
+  <B value="-0.018144" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315992" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.031073E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.1555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.786" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042761" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.83338" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10943" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1276" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.604" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10943" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="513-53-1" />
+<Smiles name="SMILES"  value="CC(S)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1807" />
+<CompoundID name="Name"  value="N-hexyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3(CH2)5SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="622" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3025000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="424.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.62" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0130959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141006" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.369" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.252E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07963" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.12E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.292E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.77E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="454600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.801E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03043" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.176E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9499" />
+  <B value="-0.0064569" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="77.05" />
+  <Tmax units="K"  value="192.62" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60827" />
+  <B value="0.26212" />
+  <C value="623.01" />
+  <D value="0.27785" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="623" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.0208" />
+  <B value="-8530.272" />
+  <C value="-11.91139" />
+  <D value="8.521739E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="623" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.053718E+07" />
+  <B value="0.532372" />
+  <C value="-0.222059" />
+  <D value="0.0696209" />
+  <E value="-0.00101028" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="600.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19026" />
+  <B value="1622.7" />
+  <C value="-5.5711" />
+  <D value="-0.0016101" />
+  <E value="0.00005357" />
+  <Tmin units="K"  value="16.73" />
+  <Tmax units="K"  value="186.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="168110" />
+  <B value="243.92" />
+  <C value="7.741" />
+  <D value="0.0099925" />
+  <E value="-0.0000054522" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="510" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116170" />
+  <B value="-711.75" />
+  <C value="13.18" />
+  <D value="-0.000044297" />
+  <E value="1.0562E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28791" />
+  <B value="-359.98" />
+  <C value="-70.803" />
+  <D value="-33240" />
+  <E value="54069" />
+  <Tmin units="K"  value="311.5" />
+  <Tmax units="K"  value="1991.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-35.723" />
+  <B value="1823.3" />
+  <C value="4.0853" />
+  <D value="-0.0000098564" />
+  <E value="2" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7616E-08" />
+  <B value="0.85134" />
+  <C value="101.57" />
+  <D value="-4277.1" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.076932" />
+  <B value="5.5076" />
+  <C value="-1.3601" />
+  <D value="-0.00033003" />
+  <E value="-0.000001155" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.090806" />
+  <B value="0.27994" />
+  <C value="4707" />
+  <D value="1982000" />
+  <Tmin units="K"  value="425.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043732" />
+  <B value="-13.608" />
+  <C value="-2.1183" />
+  <D value="-0.001643" />
+  <E value="5.7805E-08" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="600.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23098" />
+  <B value="542.53" />
+  <C value="-0.23254" />
+  <D value="0.000032568" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.988" />
+  <B value="3419.8" />
+  <C value="-64.357" />
+  <Tmin units="K"  value="373.83" />
+  <Tmax units="K"  value="555.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0571" />
+  <B value="-0.013495" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.432645" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.508354E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.863" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="137.185" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0570385" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84617" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.369" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141006" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2497" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.369" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141006" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-31-9" />
+<Smiles name="SMILES"  value="CCCCCCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1813" />
+<CompoundID name="Name"  value="Methyl ethyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="533" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4260000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="339.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.24" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.23" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.224563" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.163" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09102" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.208" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.846E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04837" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.93E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.19E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="332100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9761000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78709" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3531E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="16.219" />
+  <B value="-0.012123" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.89" />
+  <Tmax units="K"  value="167.23" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.067" />
+  <B value="0.27102" />
+  <C value="533" />
+  <D value="0.29364" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.44792" />
+  <B value="-6287.173" />
+  <C value="-9.497514" />
+  <D value="8.101952E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1014E+07" />
+  <B value="1.045" />
+  <C value="-1.3834" />
+  <D value="1.1914" />
+  <E value="-0.41055" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19284" />
+  <B value="1609.7" />
+  <C value="-10.685" />
+  <D value="0.036633" />
+  <E value="-0.000038883" />
+  <Tmin units="K"  value="17.79" />
+  <Tmax units="K"  value="161.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128430" />
+  <B value="1340.2" />
+  <C value="-7.9347" />
+  <D value="0.062009" />
+  <E value="-0.00006022" />
+  <Tmin units="K"  value="147.21" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65018" />
+  <B value="-602.45" />
+  <C value="12.269" />
+  <D value="0.00023938" />
+  <E value="-9.0299E-08" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12321" />
+  <B value="-136.78" />
+  <C value="-37.817" />
+  <D value="13559" />
+  <E value="-38648" />
+  <Tmin units="K"  value="266.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.137" />
+  <B value="871.68" />
+  <C value="0.048227" />
+  <D value="-1.2198E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5396E-07" />
+  <B value="0.76205" />
+  <C value="156.76" />
+  <D value="-5273.3" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050172" />
+  <B value="-1.1207" />
+  <C value="-1.3208" />
+  <D value="-0.00082247" />
+  <E value="-0.0000013076" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0034168" />
+  <B value="0.62158" />
+  <C value="1811.6" />
+  <D value="162180" />
+  <Tmin units="K"  value="339.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010255" />
+  <B value="52.377" />
+  <C value="-3.2511" />
+  <D value="0.0012494" />
+  <E value="-0.0000074687" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23414" />
+  <B value="242.67" />
+  <C value="0.067098" />
+  <D value="-0.00024012" />
+  <E value="1.1017E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.758" />
+  <B value="2662.3" />
+  <C value="-51.408" />
+  <Tmin units="K"  value="321.07" />
+  <Tmax units="K"  value="475.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5661" />
+  <B value="-0.014639" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.257003" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.286005E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="236.7143" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.45" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02863" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0358611" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84695" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.208" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09102" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1885" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.756" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.36781" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.208" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.09102" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-89-5" />
+<Smiles name="SMILES"  value="CSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1814" />
+<CompoundID name="Name"  value="Methyl n-propyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.322" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="368.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00425588" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.107699" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.356915" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.373E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0586" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.19E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.793E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="371700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9912000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.01" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.962E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.682" />
+  <B value="-0.010678" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.07" />
+  <Tmax units="K"  value="160.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.528" />
+  <B value="0.35328" />
+  <C value="552" />
+  <D value="0.39953" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.78969" />
+  <B value="-6786.538" />
+  <C value="-9.267875" />
+  <D value="6.742312E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.460643E+07" />
+  <B value="0.610381" />
+  <C value="0.183873" />
+  <D value="-0.864255" />
+  <E value="0.448129" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13278" />
+  <B value="1215" />
+  <C value="-0.30808" />
+  <D value="-0.046796" />
+  <E value="0.00019076" />
+  <Tmin units="K"  value="16.47" />
+  <Tmax units="K"  value="150.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140680" />
+  <B value="477.81" />
+  <C value="3.8109" />
+  <D value="0.020949" />
+  <E value="-0.000014877" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76201" />
+  <B value="-575.5" />
+  <C value="12.472" />
+  <D value="0.00030373" />
+  <E value="-1.0224E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.08111" />
+  <B value="-68.911" />
+  <C value="-77.365" />
+  <D value="58267" />
+  <E value="-161420" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.683" />
+  <B value="983.43" />
+  <C value="0.11996" />
+  <D value="-4.1262E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4928E-08" />
+  <B value="0.89154" />
+  <C value="78.07" />
+  <D value="-5628.6" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.062059" />
+  <B value="3.0814" />
+  <C value="-1.3629" />
+  <D value="-0.00055214" />
+  <E value="-0.0000012783" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0023304" />
+  <B value="0.67586" />
+  <C value="1803.3" />
+  <D value="153300" />
+  <Tmin units="K"  value="368.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0070237" />
+  <B value="92.745" />
+  <C value="-3.8705" />
+  <D value="0.0035687" />
+  <E value="-0.000010748" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16136" />
+  <B value="391.22" />
+  <C value="-0.18441" />
+  <D value="0.000032898" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.984" />
+  <B value="3002.5" />
+  <C value="-51.221" />
+  <Tmin units="K"  value="331.82" />
+  <Tmax units="K"  value="479.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9627" />
+  <B value="-0.015623" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.312895" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.469994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="278.4399" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.501" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423566" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84676" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.356915" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.107699" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.273669" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.107699" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3877-15-4" />
+<Smiles name="SMILES"  value="CSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1815" />
+<CompoundID name="Name"  value="Methyl t-butyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC(CH3)3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="585" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.048" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.84" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190.84" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.818336" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.214" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12697" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.107514" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.509E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16230" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06881" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.209E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7400000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8414000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.67" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="11.206" />
+  <B value="-0.0073401" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.34" />
+  <Tmax units="K"  value="190.84" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0025324" />
+  <B value="0.015967" />
+  <C value="585" />
+  <D value="0.080614" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.46516" />
+  <B value="-6786.586" />
+  <C value="-9.396892" />
+  <D value="6.668285E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.776086E+07" />
+  <B value="2.156989" />
+  <C value="-4.009149" />
+  <D value="3.630339" />
+  <E value="-1.236406" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8544.9" />
+  <B value="1449.1" />
+  <C value="-8.766" />
+  <D value="0.039746" />
+  <E value="-0.000061947" />
+  <Tmin units="K"  value="20.74" />
+  <Tmax units="K"  value="180.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141210" />
+  <B value="178.65" />
+  <C value="7.6994" />
+  <D value="0.011393" />
+  <E value="-0.0000080501" />
+  <Tmin units="K"  value="189.96" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87862" />
+  <B value="-573.15" />
+  <C value="12.832" />
+  <D value="0.000097962" />
+  <E value="-4.8038E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2108" />
+  <B value="-261.12" />
+  <C value="-41.45" />
+  <D value="-6872.1" />
+  <E value="24062" />
+  <Tmin units="K"  value="330.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.768" />
+  <B value="996.37" />
+  <C value="0.0046964" />
+  <D value="-1.0865E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4934E-07" />
+  <B value="0.74231" />
+  <C value="170.99" />
+  <D value="-8263.5" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049324" />
+  <B value="-5.479" />
+  <C value="-1.3559" />
+  <D value="-0.00091706" />
+  <E value="-9.5073E-07" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016838" />
+  <B value="0.95767" />
+  <C value="599.31" />
+  <D value="12993" />
+  <Tmin units="K"  value="372.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025531" />
+  <B value="-17.805" />
+  <C value="-2.276" />
+  <D value="-0.0022145" />
+  <E value="-2.4544E-07" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7260" />
+  <B value="545.25" />
+  <C value="-0.30907" />
+  <D value="0.000066341" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.736" />
+  <B value="2954" />
+  <C value="-51.303" />
+  <Tmin units="K"  value="351.19" />
+  <Tmax units="K"  value="510.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2409" />
+  <B value="-0.01354" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3701" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.475542E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="338.2028" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.727" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0497028" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.82938" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.107514" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12697" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5358" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.233365" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12697" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="122"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6163-64-0" />
+<Smiles name="SMILES"  value="CSC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1816" />
+<CompoundID name="Name"  value="Methyl t-pentyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC(CH3)(CH3)C2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="632" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0547032" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.283554" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16850" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.113E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.374E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.884E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8320000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.171E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.916" />
+  <B value="-0.0063564" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="195" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59566" />
+  <B value="0.25918" />
+  <C value="632" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.41151" />
+  <B value="-7073.516" />
+  <C value="-7.244729" />
+  <D value="3.628693E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4045E+07" />
+  <B value="0.37325" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20380" />
+  <B value="1924" />
+  <C value="-10.285" />
+  <D value="0.022612" />
+  <E value="0.00003528" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="181970" />
+  <B value="283.58" />
+  <C value="5.3016" />
+  <D value="0.020294" />
+  <E value="-0.000016827" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="474" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109660" />
+  <B value="-656.23" />
+  <C value="13.164" />
+  <D value="-0.000084618" />
+  <E value="-5.7336E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28156" />
+  <B value="-377.98" />
+  <C value="-67.102" />
+  <D value="-17004" />
+  <E value="6836.4" />
+  <Tmin units="K"  value="316" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.248" />
+  <B value="1169.1" />
+  <C value="-0.00088104" />
+  <D value="1.198E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="423" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.9322E-08" />
+  <B value="0.79515" />
+  <C value="142.11" />
+  <D value="-9151.1" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059845" />
+  <B value="-0.6973" />
+  <C value="-1.3681" />
+  <D value="-0.00062696" />
+  <E value="-0.0000008708" />
+  <Tmin units="K"  value="155" />
+  <Tmax units="K"  value="423" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014528" />
+  <B value="0.96627" />
+  <C value="637.8" />
+  <D value="13351" />
+  <Tmin units="K"  value="423" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0084476" />
+  <B value="63" />
+  <C value="-3.4305" />
+  <D value="0.0011072" />
+  <E value="-0.0000054381" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2393.4" />
+  <B value="652.33" />
+  <C value="-0.3793" />
+  <D value="0.000081492" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.825" />
+  <B value="3408.7" />
+  <C value="-56.194" />
+  <Tmin units="K"  value="402" />
+  <Tmax units="K"  value="563" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0728" />
+  <B value="-0.013528" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="423" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.429177" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.023997E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="318.7935" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="136.778" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0566345" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84466" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.283554" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141236" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2102" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.452" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.283554" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16850" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141236" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="13286-92-5" />
+<Smiles name="SMILES"  value="CSC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1817" />
+<CompoundID name="Name"  value="Di-n-propyl sulfide" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="608" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3080000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.978" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="170.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000440358" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141918" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.374042" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.089E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07906" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.094E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.254E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.15E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.214E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.1801E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.099" />
+  <B value="-0.0074068" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.18" />
+  <Tmax units="K"  value="170.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66296" />
+  <B value="0.27313" />
+  <C value="608" />
+  <D value="0.29224" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="149.6373" />
+  <B value="-10251.56" />
+  <C value="-19.3067" />
+  <D value="0.0000171365" />
+  <E value="2" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="608" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7575E+07" />
+  <B value="0.38334" />
+  <C value="0.098397" />
+  <D value="-0.17233" />
+  <E value="0.065159" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13983" />
+  <B value="1523.9" />
+  <C value="-1.9419" />
+  <D value="-0.047401" />
+  <E value="0.00023576" />
+  <Tmin units="K"  value="14.29" />
+  <Tmax units="K"  value="165.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165300" />
+  <B value="330.45" />
+  <C value="6.4516" />
+  <D value="0.01426" />
+  <E value="-0.000009041" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="375" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105470" />
+  <B value="-659.93" />
+  <C value="13.199" />
+  <D value="-0.00015" />
+  <E value="2.3041E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27779" />
+  <B value="-335.64" />
+  <C value="-67.213" />
+  <D value="-19481" />
+  <E value="17068" />
+  <Tmin units="K"  value="304" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.285" />
+  <B value="1150.9" />
+  <C value="-0.17064" />
+  <D value="6.2281E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5739E-08" />
+  <B value="0.838" />
+  <C value="116.99" />
+  <D value="-6475.6" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078109" />
+  <B value="7.1733" />
+  <C value="-1.4231" />
+  <D value="-0.000097639" />
+  <E value="-0.0000015465" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0086151" />
+  <B value="0.48706" />
+  <C value="1648.6" />
+  <D value="489220" />
+  <Tmin units="K"  value="415.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016747" />
+  <B value="16.881" />
+  <C value="-2.7667" />
+  <D value="-0.00076737" />
+  <E value="-0.000002493" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="541.13" />
+  <B value="648.44" />
+  <C value="-0.38084" />
+  <D value="0.00008351" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.969" />
+  <B value="3327.3" />
+  <C value="-63.661" />
+  <Tmin units="K"  value="367.71" />
+  <Tmax units="K"  value="538.91" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4507" />
+  <B value="-0.015523" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.429295" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.293494E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="273.9316" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.034" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565316" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84105" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.374042" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141918" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2117" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.374042" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141918" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-47-7" />
+<Smiles name="SMILES"  value="CCCSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1818" />
+<CompoundID name="Name"  value="Diethyl sulfide" />
+<StructureFormula name="Structure"  value="CH3CH2SCH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3960000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.318" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.099321" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10851" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.295" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.212E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0586" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.347E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.778E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.19035E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90128" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9607E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.811" />
+  <B value="-3.1253E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.15" />
+  <Tmax units="K"  value="92.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.71845" />
+  <B value="0.24674" />
+  <C value="557.16" />
+  <D value="0.25292" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="557.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.99138" />
+  <B value="-6108.92" />
+  <C value="-7.37143" />
+  <D value="5.835752E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="557.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6317E+07" />
+  <B value="0.40563" />
+  <C value="-0.17525" />
+  <D value="0.12561" />
+  <E value="0.018959" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="536.73" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11543" />
+  <B value="1074.2" />
+  <C value="-1.061" />
+  <D value="-0.019344" />
+  <E value="0.000072553" />
+  <Tmin units="K"  value="15.97" />
+  <Tmax units="K"  value="159.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145900" />
+  <B value="1485.7" />
+  <C value="-9.9348" />
+  <D value="0.077005" />
+  <E value="-0.000088463" />
+  <Tmin units="K"  value="181.95" />
+  <Tmax units="K"  value="322.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84916" />
+  <B value="-751.54" />
+  <C value="12.969" />
+  <D value="-0.00026179" />
+  <E value="6.4336E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16441" />
+  <B value="-234.17" />
+  <C value="-39.709" />
+  <D value="11874" />
+  <E value="-35686" />
+  <Tmin units="K"  value="278.5" />
+  <Tmax units="K"  value="1949.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.9987" />
+  <B value="606.92" />
+  <C value="-1.2077" />
+  <D value="8.2651E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.8477E-08" />
+  <B value="0.85168" />
+  <C value="55.152" />
+  <D value="236.99" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.07619" />
+  <B value="7.9978" />
+  <C value="-1.3835" />
+  <D value="-0.00020735" />
+  <E value="-0.0000016592" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0017352" />
+  <B value="0.67658" />
+  <C value="1116.5" />
+  <D value="181260" />
+  <Tmin units="K"  value="365.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014023" />
+  <B value="40.038" />
+  <C value="-3.1023" />
+  <D value="0.00060236" />
+  <E value="-0.0000051915" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="536.73" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36043" />
+  <B value="216.86" />
+  <C value="0.32917" />
+  <D value="-0.00057212" />
+  <E value="2.4112E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.458" />
+  <B value="-2860" />
+  <C value="-17.16" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.747" />
+  <B value="3457.8" />
+  <C value="-26.458" />
+  <Tmin units="K"  value="337.07" />
+  <Tmax units="K"  value="495.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6508" />
+  <B value="-0.01037" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.312895" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.156747E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.0153" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.932" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0429092" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.837" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.295" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10851" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.295" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10851" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="352-93-2" />
+<Smiles name="SMILES"  value="CCSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1824" />
+<CompoundID name="Name"  value="Diethyl disulfide" />
+<StructureFormula name="Structure"  value="C2H5SSC2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="642" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.358" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="427.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000220562" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="122.252" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12376" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.346925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.615E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0705" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.47E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.301E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9406000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.257E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.385" />
+  <B value="-0.0073655" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.65" />
+  <Tmax units="K"  value="171.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77633" />
+  <B value="0.27774" />
+  <C value="642" />
+  <D value="0.3008" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="177.1651" />
+  <B value="-11358.16" />
+  <C value="-23.65597" />
+  <D value="0.0000232121" />
+  <E value="2" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.898575E+07" />
+  <B value="0.279736" />
+  <C value="0.523521" />
+  <D value="-0.500907" />
+  <E value="0.0214669" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16428" />
+  <B value="1949.1" />
+  <C value="-14.93" />
+  <D value="0.073624" />
+  <E value="-0.00014251" />
+  <Tmin units="K"  value="34.92" />
+  <Tmax units="K"  value="152.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="184820" />
+  <B value="1402.4" />
+  <C value="-9.485" />
+  <D value="0.072797" />
+  <E value="-0.00007939" />
+  <Tmin units="K"  value="168.17" />
+  <Tmax units="K"  value="299.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100900" />
+  <B value="-621.21" />
+  <C value="12.713" />
+  <D value="-0.0000050655" />
+  <E value="-1.705E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22999" />
+  <B value="-298.83" />
+  <C value="-65.123" />
+  <D value="-33026" />
+  <E value="42588" />
+  <Tmin units="K"  value="321" />
+  <Tmax units="K"  value="1761" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.559" />
+  <B value="1373.4" />
+  <C value="0.15118" />
+  <D value="-3.7692E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.5143E-08" />
+  <B value="0.87157" />
+  <C value="110.73" />
+  <D value="-9132.4" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.047803" />
+  <B value="3.9799" />
+  <C value="-1.4697" />
+  <D value="-0.00042308" />
+  <E value="-0.0000011998" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.14" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017171" />
+  <B value="0.93356" />
+  <C value="610.03" />
+  <D value="20030" />
+  <Tmin units="K"  value="427.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010614" />
+  <B value="45.537" />
+  <C value="-3.1313" />
+  <D value="0.00068508" />
+  <E value="-0.0000047035" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35231" />
+  <B value="424.66" />
+  <C value="-0.23005" />
+  <D value="0.000046108" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3433.2" />
+  <C value="-63.337" />
+  <Tmin units="K"  value="386.78" />
+  <Tmax units="K"  value="567.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6558" />
+  <B value="-0.01741" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379729" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.671723E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328.3615" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="115.933" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0515886" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.997" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.346925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12376" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5748" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.816" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.346925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12376" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="103"  value="2" />
+  </Umr>
+<CAS name="CAS number"  value="110-81-6" />
+<Smiles name="SMILES"  value="CCSSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1828" />
+<CompoundID name="Name"  value="Dimethyl disulfide" />
+<StructureFormula name="Structure"  value="CH3SSCH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="606" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.44" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.207156" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="94.199" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0890926" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.266353" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.942E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05004" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.25E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.35978E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.53553E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336686" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9192000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.04376E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.732" />
+  <B value="-0.0091284" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.38" />
+  <Tmax units="K"  value="188.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0289" />
+  <B value="0.26919" />
+  <C value="615.01" />
+  <D value="0.29771" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="615" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.238" />
+  <B value="-6951.5" />
+  <C value="-8.8055" />
+  <D value="0.0000055663" />
+  <E value="2" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.473869E+07" />
+  <B value="0.511523" />
+  <C value="0.456682" />
+  <D value="-1.152343" />
+  <E value="0.579651" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="592.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15381" />
+  <B value="1506.8" />
+  <C value="-8.7556" />
+  <D value="0.024969" />
+  <E value="-0.000016391" />
+  <Tmin units="K"  value="18.3" />
+  <Tmax units="K"  value="181.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143050" />
+  <B value="-21950" />
+  <C value="190.58" />
+  <D value="-0.51509" />
+  <E value="0.00050194" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74603" />
+  <B value="-691.43" />
+  <C value="12.21" />
+  <D value="-0.0000028522" />
+  <E value="-1.9217E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.27433" />
+  <B value="338.25" />
+  <C value="-157.11" />
+  <D value="213460" />
+  <E value="-611370" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.014" />
+  <B value="1197" />
+  <C value="-0.085106" />
+  <D value="2.8649E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8221E-08" />
+  <B value="0.86272" />
+  <C value="109.17" />
+  <D value="-8364.4" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.035195" />
+  <B value="-0.25311" />
+  <C value="-1.4287" />
+  <D value="-0.00064815" />
+  <E value="-0.0000012773" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022814" />
+  <B value="0.8901" />
+  <C value="687.63" />
+  <D value="4695.8" />
+  <Tmin units="K"  value="382.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012015" />
+  <B value="66.606" />
+  <C value="-3.1743" />
+  <D value="0.0012491" />
+  <E value="-0.0000059034" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="592.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="38217" />
+  <B value="216.65" />
+  <C value="-0.095516" />
+  <D value="0.00001376" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.22" />
+  <B value="-4800" />
+  <C value="-28.8" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.015" />
+  <B value="3141.5" />
+  <C value="-51.826" />
+  <Tmin units="K"  value="364.43" />
+  <Tmax units="K"  value="525.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4373" />
+  <B value="-0.01633" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.266045" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.827118E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.4613" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.969" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0377667" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.06743" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.266353" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0890926" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.226" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.205916" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0890926" />
+<UnifacVLE name="UNIFAC" >
+  <group id="102"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="102"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-92-0" />
+<Smiles name="SMILES"  value="CSSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1829" />
+<CompoundID name="Name"  value="Di-n-propyl disulfide" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SSCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="727.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3009350" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.518" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="466.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000767693" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="150.305" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.157229" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.142024" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.414E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08986" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.224E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.173E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.849E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="490000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.381E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.65" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.53027E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.9128" />
+  <B value="-0.0059368" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.06" />
+  <Tmax units="K"  value="187.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0083051" />
+  <B value="0.032244" />
+  <C value="727.15" />
+  <D value="0.12866" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="37.30305" />
+  <B value="-7362.883" />
+  <C value="-1.323142" />
+  <D value="-8.891834E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.27924E+07" />
+  <B value="-0.627848" />
+  <C value="2.812662" />
+  <D value="-3.633008" />
+  <E value="1.997715" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23050" />
+  <B value="2146.3" />
+  <C value="-10.296" />
+  <D value="0.017948" />
+  <E value="0.000028517" />
+  <Tmin units="K"  value="16.53" />
+  <Tmax units="K"  value="175.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="195280" />
+  <B value="206.99" />
+  <C value="8.2539" />
+  <D value="0.0083402" />
+  <E value="-0.0000036311" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135200" />
+  <B value="-728.45" />
+  <C value="13.4" />
+  <D value="-0.00037376" />
+  <E value="9.4294E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30698" />
+  <B value="-389.94" />
+  <C value="-117.39" />
+  <D value="-56995" />
+  <E value="52423" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.576" />
+  <B value="1437.8" />
+  <C value="-0.35065" />
+  <D value="0.0000011166" />
+  <E value="2" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.2944E-08" />
+  <B value="0.86495" />
+  <C value="121.54" />
+  <D value="-9663.6" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.066065" />
+  <B value="4.827" />
+  <C value="-1.4132" />
+  <D value="-0.00039942" />
+  <E value="-9.1868E-07" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015595" />
+  <B value="0.95139" />
+  <C value="651.61" />
+  <D value="14665" />
+  <Tmin units="K"  value="469" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010484" />
+  <B value="73.954" />
+  <C value="-3.3578" />
+  <D value="0.0010428" />
+  <E value="-0.0000040493" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="30077" />
+  <B value="631.46" />
+  <C value="-0.35924" />
+  <D value="0.000074548" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.097" />
+  <B value="4581.5" />
+  <C value="-35.467" />
+  <Tmin units="K"  value="439.75" />
+  <Tmax units="K"  value="649.35" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6086" />
+  <B value="-0.01566" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.493908" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.909704E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.9395" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.035" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0694742" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0836846" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.157229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9236" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.896" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.436981" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.157229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="103"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-19-6" />
+<Smiles name="SMILES"  value="CCCSSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3801" />
+<CompoundID name="Name"  value="Di-tert-butyl disulfide" />
+<StructureFormula name="Structure"  value="(CH3)3CS2C(CH3)3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="689.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3159000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.518" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.285" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="473.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.12" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="178.359" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1947" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.402005" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.686E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1126" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.457E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.998E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.427E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="500100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.31E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.665E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="6.7119" />
+  <B value="-0.0031282" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.28" />
+  <Tmax units="K"  value="268.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60778" />
+  <B value="0.31522" />
+  <C value="689.7" />
+  <D value="0.2884" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="113.63" />
+  <B value="-10180" />
+  <C value="-13.332" />
+  <D value="0.0000068178" />
+  <E value="2" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0039E+07" />
+  <B value="-1.4285" />
+  <C value="5.5884" />
+  <D value="-6.8503" />
+  <E value="3.0089" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="3730" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="273850" />
+  <B value="-799.3" />
+  <C value="13.794" />
+  <D value="-0.001521" />
+  <E value="0.0000014598" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="171300" />
+  <B value="-806" />
+  <C value="13.98" />
+  <D value="-0.00069575" />
+  <E value="1.6372E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3107" />
+  <B value="-418.41" />
+  <C value="-109.87" />
+  <D value="-34733" />
+  <E value="-2236.6" />
+  <Tmin units="K"  value="344.85" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.435" />
+  <B value="1172.7" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="473.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001005" />
+  <B value="0.79652" />
+  <C value="148.51" />
+  <D value="-7648.2" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.019283" />
+  <B value="-53.989" />
+  <C value="-1.1745" />
+  <D value="-0.0017696" />
+  <E value="-1.3435E-07" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="473.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018425" />
+  <B value="0.91582" />
+  <C value="448.35" />
+  <D value="58650" />
+  <Tmin units="K"  value="473.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12216" />
+  <B value="-29.058" />
+  <C value="-1.4793" />
+  <D value="-0.001294" />
+  <E value="6.5007E-07" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7365.9" />
+  <B value="999.61" />
+  <C value="-0.67127" />
+  <D value="0.00016012" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.558" />
+  <B value="4258.7" />
+  <C value="-49.2" />
+  <Tmin units="K"  value="423.49" />
+  <Tmax units="K"  value="600.96" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.638704" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.758875E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="490.9247" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.285" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.779" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0758034" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.922" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.402005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1947" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9221" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.402005" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1947" />
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-06-5" />
+<Smiles name="SMILES"  value="CC(C)(C)SSC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3813" />
+<CompoundID name="Name"  value="Ethyl methyl disulfide" />
+<StructureFormula name="Structure"  value="CH3CH2SSCH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="628.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4615000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="407.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0416" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.226" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1066" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.411E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.25E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.061" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.365E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.94E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.709E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9210000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.215" />
+  <B value="-0.0090158" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.29" />
+  <Tmax units="K"  value="183.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88258" />
+  <B value="0.27523" />
+  <C value="628.9" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="605.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.027" />
+  <B value="-8038.4" />
+  <C value="-10.972" />
+  <D value="0.0000070895" />
+  <E value="2" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8216E+07" />
+  <B value="0.48633" />
+  <C value="-0.6279" />
+  <D value="0.476" />
+  <E value="0" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2639" />
+  <B value="0.73245" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="183.22" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="187520" />
+  <B value="-208.62" />
+  <C value="0.55295" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84149" />
+  <B value="-628.71" />
+  <C value="12.564" />
+  <D value="-0.0001652" />
+  <E value="8.9754E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18531" />
+  <B value="-341.47" />
+  <C value="-46.957" />
+  <D value="-9218.3" />
+  <E value="14306" />
+  <Tmin units="K"  value="314.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-74.45287" />
+  <B value="3204.964" />
+  <C value="10.10529" />
+  <D value="-0.0000144504" />
+  <E value="2" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0201E-08" />
+  <B value="0.85571" />
+  <C value="90.077" />
+  <D value="-7385.7" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21083" />
+  <B value="11.426" />
+  <C value="-1.0307" />
+  <D value="0.00012249" />
+  <E value="-0.0000010671" />
+  <Tmin units="K"  value="188.67" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00027958" />
+  <B value="0.86411" />
+  <C value="843.3" />
+  <D value="7471.1" />
+  <Tmin units="K"  value="407.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.019623" />
+  <B value="24.049" />
+  <C value="-2.6806" />
+  <D value="-0.0004209" />
+  <E value="-0.0000026778" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="605.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28202" />
+  <B value="358.57" />
+  <C value="-0.21427" />
+  <D value="0.00005341" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.749" />
+  <B value="3877.4" />
+  <C value="-27.865" />
+  <Tmin units="K"  value="394.33" />
+  <Tmax units="K"  value="558.53" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1439" />
+  <B value="-0.0099736" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.326201" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.957956E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.6339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.451" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0449723" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.02" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1066" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9004" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.276" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1066" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="20333-39-5" />
+<Smiles name="SMILES"  value="CCSSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3814" />
+<CompoundID name="Name"  value="Ethyl propyl disulfide" />
+<StructureFormula name="Structure"  value="CH3(CH2)2SSCH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3612000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.417" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00002" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.279" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.391" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.304E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.69E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.105E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.625E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.796E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="460300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.866E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.091" />
+  <B value="-0.0076445" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66" />
+  <Tmax units="K"  value="165" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65822" />
+  <B value="0.27459" />
+  <C value="660" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.6" />
+  <B value="-9574.8" />
+  <C value="-12.96" />
+  <D value="0.0000072115" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9782E+07" />
+  <B value="0.63427" />
+  <C value="-0.74757" />
+  <D value="0.47275" />
+  <E value="0" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5554.7" />
+  <B value="1005.5" />
+  <C value="-1.3152" />
+  <D value="0.0022282" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="165" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="223630" />
+  <B value="-139.83" />
+  <C value="0.57232" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="446.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105720" />
+  <B value="-573.79" />
+  <C value="12.857" />
+  <D value="0.000058344" />
+  <E value="8.0803E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24848" />
+  <B value="-451.31" />
+  <C value="-81.656" />
+  <D value="-23479" />
+  <E value="37883" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.87" />
+  <B value="2334.8" />
+  <C value="4.1564" />
+  <D value="-0.0000036099" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="528" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.9027E-08" />
+  <B value="0.8462" />
+  <C value="109.98" />
+  <D value="-9618.4" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.20064" />
+  <B value="12.059" />
+  <C value="-1.0757" />
+  <D value="0.00011826" />
+  <E value="-0.000000977" />
+  <Tmin units="K"  value="198" />
+  <Tmax units="K"  value="528" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00000124" />
+  <B value="1.5526" />
+  <C value="-137.7" />
+  <D value="30422" />
+  <Tmin units="K"  value="446.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016218" />
+  <B value="22.019" />
+  <C value="-2.7492" />
+  <D value="-0.00041928" />
+  <E value="-0.0000026424" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24558" />
+  <B value="549.61" />
+  <C value="-0.30995" />
+  <D value="0.000072708" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.677" />
+  <B value="4069.1" />
+  <C value="-45.972" />
+  <Tmin units="K"  value="399.47" />
+  <Tmax units="K"  value="581.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8977" />
+  <B value="-0.013855" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="528" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.449017" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.591582E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="407.7173" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.984" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0590577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.948" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.391" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2492" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.356" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="30453-31-7" />
+<Smiles name="SMILES"  value="CCCSSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3819" />
+<CompoundID name="Name"  value="Diphenyl disulfide" />
+<StructureFormula name="Structure"  value="(C6H5)SS(C6H5)" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="829.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3569000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.584" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.302" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="583.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="333.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="333.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.49" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="218.338" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.2076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.569717" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.685E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1193" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.447E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.628E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.518E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="489300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.93E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.676E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.3025" />
+  <B value="-0.00053803" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="333.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5173" />
+  <B value="0.302" />
+  <C value="829.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="927.5541" />
+  <B value="-59320.23" />
+  <C value="-131.1073" />
+  <D value="0.000060625" />
+  <E value="2" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1805E+08" />
+  <B value="0.46278" />
+  <C value="0.25764" />
+  <D value="-0.22402" />
+  <E value="-0.0012437" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13316" />
+  <B value="948.21" />
+  <C value="-1.198" />
+  <D value="0.0037219" />
+  <E value="-0.0000045845" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="333.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="267470" />
+  <B value="28.884" />
+  <C value="0.54728" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50433" />
+  <B value="-472.23" />
+  <C value="13.469" />
+  <D value="-0.00011605" />
+  <E value="2.3877E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32906" />
+  <B value="-464.91" />
+  <C value="-256.61" />
+  <D value="-253250" />
+  <E value="94392" />
+  <Tmin units="K"  value="414.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.832" />
+  <B value="1659.3" />
+  <C value="-0.039017" />
+  <D value="-1.1543E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.542E-08" />
+  <B value="0.87669" />
+  <C value="123.7" />
+  <D value="-14104" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040762" />
+  <B value="-52.269" />
+  <C value="-1.2013" />
+  <D value="-0.001172" />
+  <E value="-1.6247E-07" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000021936" />
+  <B value="1.4453" />
+  <C value="-128.48" />
+  <D value="46604" />
+  <Tmin units="K"  value="583.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.086" />
+  <B value="1.222" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-72351" />
+  <B value="1102.3" />
+  <C value="-0.77741" />
+  <D value="0.00020116" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.007" />
+  <B value="3922.8" />
+  <C value="-169.93" />
+  <Tmin units="K"  value="516.35" />
+  <Tmax units="K"  value="725.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4659" />
+  <B value="-0.0085149" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.683837" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.562071E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="727.6315" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.302" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.191" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0940873" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.569717" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.2076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6308" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.496" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.569717" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2076" />
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="10"  value="0" />
+  </UnifacLLE>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="882-33-7" />
+<Smiles name="SMILES"  value="C1=CC=C(C=C1)SSC2=CC=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1723" />
+<CompoundID name="Name"  value="Monoethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2NH2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="671.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.225" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.284" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="283.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="283.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.3683" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="61.0831" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0603415" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.550815" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.826E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="31830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.59E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.96E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.033E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="320000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.0496E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.289594" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.363E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.251" />
+  <B value="-0.0083183" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="113.46" />
+  <Tmax units="K"  value="283.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.648" />
+  <B value="0.18183" />
+  <C value="678.21" />
+  <D value="0.17947" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="678.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.09274" />
+  <B value="4319.625" />
+  <C value="-69.95024" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="678.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.012031E+08" />
+  <B value="1.976961" />
+  <C value="-4.399887" />
+  <D value="4.906054" />
+  <E value="-1.945886" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="595.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="15188" />
+  <B value="144.03" />
+  <C value="3.6142" />
+  <D value="-0.019701" />
+  <E value="0.000034165" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="283.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="78653.42" />
+  <B value="311.4162" />
+  <C value="-0.0607137" />
+  <D value="-2.713217E-06" />
+  <E value="-0.000017988" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="443.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50668" />
+  <B value="-516.86" />
+  <C value="12.167" />
+  <D value="0.00008641" />
+  <E value="2.8656E-10" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13635" />
+  <B value="-174.62" />
+  <C value="-48.233" />
+  <D value="-16405" />
+  <E value="4380.8" />
+  <Tmin units="K"  value="339.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-370.3" />
+  <B value="17780" />
+  <C value="54.624" />
+  <D value="-0.000051065" />
+  <E value="2" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="542.56" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.78881E-08" />
+  <B value="0.876532" />
+  <C value="75.00276" />
+  <D value="628.0161" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.37218" />
+  <B value="78.8" />
+  <C value="-1.5916" />
+  <D value="0.0043895" />
+  <E value="-0.0000053291" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-9539.9" />
+  <B value="0.39852" />
+  <C value="-1.7433E+09" />
+  <D value="-6.3715E+10" />
+  <Tmin units="K"  value="443.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067139" />
+  <B value="-7.9" />
+  <C value="-1.90607" />
+  <D value="-0.0004719" />
+  <E value="-0.0000009533" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="600" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="11350" />
+  <B value="298.51" />
+  <C value="-0.17683" />
+  <D value="0.000043009" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.337" />
+  <B value="-10000" />
+  <C value="-113.16" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.027" />
+  <B value="3495.2" />
+  <C value="-109.62" />
+  <Tmin units="K"  value="370" />
+  <Tmax units="K"  value="545" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.9272" />
+  <B value="-0.020626" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="542.56" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20696" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.140324E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="431.8628" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.284" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.539" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0284" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.01697" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.550815" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0603415" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.0436" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.976" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.446737" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="31830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0603415" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-43-5" />
+<Smiles name="SMILES"  value="NCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1724" />
+<CompoundID name="Name"  value="Diethanolamine" />
+<StructureFormula name="Structure"  value="(HOCH2CH2)2NH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4720000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.349" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="542" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="301.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="301.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.102031" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="105.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.096244" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.991515" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.907E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06508" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.31E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.73E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.2574E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="429000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.5104E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.85" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4439E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.174" />
+  <B value="-0.0048077" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="120.46" />
+  <Tmax units="K"  value="301.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5251" />
+  <B value="0.20924" />
+  <C value="736.61" />
+  <D value="0.18363" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="736.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.735" />
+  <B value="5441.7" />
+  <C value="-95.519" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="736.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.90134E+07" />
+  <B value="-1.865152" />
+  <C value="6.820965" />
+  <D value="-7.963053" />
+  <E value="3.251551" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="713.68" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5726.4" />
+  <B value="678.12" />
+  <C value="-1.2202" />
+  <D value="0.0028487" />
+  <E value="-0.0000029189" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="301.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="88234.68" />
+  <B value="483.2566" />
+  <C value="0.294569" />
+  <D value="-0.000214761" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="715" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92216" />
+  <B value="-624.1" />
+  <C value="12.938" />
+  <D value="-0.00014779" />
+  <E value="6.6337E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25716" />
+  <B value="-224.15" />
+  <C value="-187.3" />
+  <D value="-175320" />
+  <E value="231800" />
+  <Tmin units="K"  value="368.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.28702" />
+  <B value="6080.5" />
+  <C value="-3.8708" />
+  <D value="0.00001517" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="589.28" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7852E-08" />
+  <B value="0.89857" />
+  <C value="99.058" />
+  <D value="-7265.2" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.91328" />
+  <B value="16.824" />
+  <C value="-0.15997" />
+  <D value="0.0011516" />
+  <E value="-0.0000013756" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="673.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-10221" />
+  <B value="0.42596" />
+  <C value="-2.5172E+09" />
+  <D value="-7.9932E+10" />
+  <Tmin units="K"  value="541.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.146398" />
+  <B value="45.86264" />
+  <C value="-1.696703" />
+  <D value="-0.000291273" />
+  <E value="-1.334366E-07" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="736.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9793.4" />
+  <B value="530.15" />
+  <C value="-0.31974" />
+  <D value="0.000077668" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.1" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.04345" />
+  <B value="-12719.43" />
+  <C value="32.79742" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="715" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.735" />
+  <B value="5441.7" />
+  <C value="-95.519" />
+  <Tmin units="K"  value="430" />
+  <Tmax units="K"  value="640" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="8.1033" />
+  <B value="-0.031788" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="589.28" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.349015" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.174515E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.6829" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.243" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0453451" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.101108" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.991515" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.096244" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2302" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.952882" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.096244" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-42-2" />
+<Smiles name="SMILES"  value="OCCNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1725" />
+<CompoundID name="Name"  value="Triethanolamine" />
+<StructureFormula name="Structure"  value="(HOCH2CH2)3N" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="787" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.472" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.202" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="613" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="294.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="294.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000287009" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="149.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132992" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.28411" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.219E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="27430" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08983" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.271E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.54E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.994E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="538000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.7191E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.21" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5025E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.5621" />
+  <B value="-0.0036262" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="117.74" />
+  <Tmax units="K"  value="294.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.028938" />
+  <B value="0.058014" />
+  <C value="787" />
+  <D value="0.099632" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="772.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="283.76" />
+  <B value="-24672" />
+  <C value="-37.048" />
+  <D value="0.000015689" />
+  <E value="2" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="772.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.354875E+08" />
+  <B value="0.343894" />
+  <C value="0.961738" />
+  <D value="-1.466285" />
+  <E value="0.442687" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="772.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8095.9" />
+  <B value="970.95" />
+  <C value="-1.7742" />
+  <D value="0.0042146" />
+  <E value="-0.0000044001" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="294.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="285560" />
+  <B value="313.35" />
+  <C value="6.351" />
+  <D value="0.016374" />
+  <E value="-0.000012842" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="114870" />
+  <B value="-616.04" />
+  <C value="13.509" />
+  <D value="-0.00048074" />
+  <E value="2.2464E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40996" />
+  <B value="-214.21" />
+  <C value="-459.31" />
+  <D value="-488000" />
+  <E value="535120" />
+  <Tmin units="K"  value="386.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="33.605" />
+  <B value="4399.7" />
+  <C value="-8.9203" />
+  <D value="0.000021038" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="617.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0013E-08" />
+  <B value="0.95199" />
+  <C value="45.139" />
+  <D value="-3355.9" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.76863" />
+  <B value="26.11" />
+  <C value="-0.3374" />
+  <D value="0.0010847" />
+  <E value="-0.0000011937" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.043843" />
+  <B value="0.38395" />
+  <C value="6681.4" />
+  <D value="1202500" />
+  <Tmin units="K"  value="608.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.151321" />
+  <B value="49.37161" />
+  <C value="-1.697977" />
+  <D value="-0.00029278" />
+  <E value="-3.656577E-08" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="787" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-21521" />
+  <B value="918.12" />
+  <C value="-0.68139" />
+  <D value="0.00020714" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.59" />
+  <B value="-10000" />
+  <C value="-84.33" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.348" />
+  <B value="6603" />
+  <C value="-93.899" />
+  <Tmin units="K"  value="475.15" />
+  <Tmax units="K"  value="696.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.6572" />
+  <B value="-0.027285" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="617.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.493725" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.903848E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="162.2381" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.202" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.92" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.063602" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.131188" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.28411" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132992" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.3317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.932" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.28411" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27430" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132992" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="15"  value="3" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="6" />
+  <group id="15"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="15"  value="3" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="14"  value="3" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="102-71-6" />
+<Smiles name="SMILES"  value="OCCN(CCO)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1741" />
+<CompoundID name="Name"  value="Ethylenediamine" />
+<StructureFormula name="Structure"  value="H2NCH2CH2NH2" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="592.95" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.206" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.337" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="281.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="284.29" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="677.511" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.0983" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0672757" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.472367" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7605E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04154" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.78E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.032E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321833" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="109700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3873" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.691E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.105" />
+  <B value="-0.007483" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="113.72" />
+  <Tmax units="K"  value="284.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77469" />
+  <B value="0.20588" />
+  <C value="592.95" />
+  <D value="0.20098" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="576.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.543" />
+  <B value="-9787.615" />
+  <C value="-16.57909" />
+  <D value="0.0000129717" />
+  <E value="2" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="593" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.5708E+07" />
+  <B value="1.0826" />
+  <C value="-0.65481" />
+  <D value="-0.27019" />
+  <E value="0.25065" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="576.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16264" />
+  <B value="987.11" />
+  <C value="-4.4926" />
+  <D value="0.011566" />
+  <E value="-0.0000088487" />
+  <Tmin units="K"  value="25.91" />
+  <Tmax units="K"  value="265.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143860" />
+  <B value="434.68" />
+  <C value="4.2425" />
+  <D value="0.021662" />
+  <E value="-0.000021123" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="390.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58340" />
+  <B value="-554.75" />
+  <C value="12.205" />
+  <D value="0.00022368" />
+  <E value="-7.8562E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12638" />
+  <B value="-182.9" />
+  <C value="-38.105" />
+  <D value="-22568" />
+  <E value="37297" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1899.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.2076" />
+  <B value="2247.2" />
+  <C value="-0.93509" />
+  <D value="0.0000071501" />
+  <E value="2" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.0005E-07" />
+  <B value="0.70929" />
+  <C value="192.67" />
+  <D value="-6383.4" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020715" />
+  <B value="-158.25" />
+  <C value="0.1953" />
+  <D value="-0.004385" />
+  <E value="0.0000010035" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="390.41" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.16528" />
+  <B value="0.18013" />
+  <C value="3835.1" />
+  <D value="1598900" />
+  <Tmin units="K"  value="390.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031818" />
+  <B value="-71.601" />
+  <C value="-1.8001" />
+  <D value="-0.00127" />
+  <E value="-0.0000022345" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="576.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13229" />
+  <B value="307.67" />
+  <C value="-0.16317" />
+  <D value="0.000033422" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.9316" />
+  <B value="-8000" />
+  <C value="-48" />
+  <Tmin units="K"  value="271.9278" />
+  <Tmax units="K"  value="441.9278" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.176" />
+  <B value="3547.8" />
+  <C value="-57.244" />
+  <Tmin units="K"  value="356.35" />
+  <Tmax units="K"  value="528.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9318" />
+  <B value="-0.012454" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2203" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.064853E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="771.612" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.337" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.533" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.7134" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0304359" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.17431" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7384" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.1081" />
+<UnifacVLE name="UNIFAC" >
+  <group id="30"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="29"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="30"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="29"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-15-3" />
+<Smiles name="SMILES"  value="NCCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1743" />
+<CompoundID name="Name"  value="Diisopropylamine" />
+<StructureFormula name="Structure"  value="((CH3)2CH)2NH" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="522.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.031" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.308" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="357.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00447237" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="101.19" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141919" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.388315" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07632" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.061E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.5E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.42E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="412000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6530000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98503" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.99E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.219" />
+  <B value="-0.0064246" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="70.74" />
+  <Tmax units="K"  value="176.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72754" />
+  <B value="0.27918" />
+  <C value="522.15" />
+  <D value="0.29458" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="237.36" />
+  <B value="-12403" />
+  <C value="-33.276" />
+  <D value="0.000035165" />
+  <E value="2" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="523.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.537039E+07" />
+  <B value="-2.459337" />
+  <C value="14.73933" />
+  <D value="-19.70849" />
+  <E value="7.844199" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197480" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="522.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="150380" />
+  <B value="276.56" />
+  <C value="5.7411" />
+  <D value="0.021881" />
+  <E value="-0.000021998" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61641" />
+  <B value="-432.93" />
+  <C value="12.839" />
+  <D value="0.00037342" />
+  <E value="-1.4329E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23056" />
+  <B value="-237.06" />
+  <C value="-36.183" />
+  <D value="970.06" />
+  <E value="-9593.3" />
+  <Tmin units="K"  value="261.55" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.0105" />
+  <B value="766.59" />
+  <C value="-0.57101" />
+  <D value="-0.0000016173" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4462E-07" />
+  <B value="0.56686" />
+  <C value="334.62" />
+  <D value="-4787.5" />
+  <Tmin units="K"  value="357.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.046488" />
+  <B value="-113.84" />
+  <C value="-0.63846" />
+  <D value="-0.0065631" />
+  <E value="0.0000029442" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00048482" />
+  <B value="0.81453" />
+  <C value="349.64" />
+  <D value="151910" />
+  <Tmin units="K"  value="357.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007975" />
+  <B value="58.206" />
+  <C value="-3.5469" />
+  <D value="0.0016772" />
+  <E value="-0.0000085096" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15354" />
+  <B value="697.81" />
+  <C value="-0.39592" />
+  <D value="0.000082987" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.374" />
+  <B value="2622.7" />
+  <C value="-60.838" />
+  <Tmin units="K"  value="313.77" />
+  <Tmax units="K"  value="468.43" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.4791" />
+  <B value="-0.011177" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.41328" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.408637E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="491.4633" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.308" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="134.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0523754" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.722239" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.388315" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0308" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.244" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="34"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="34"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="33"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-18-9" />
+<Smiles name="SMILES"  value="CC(C)NC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1750" />
+<CompoundID name="Name"  value="N-aminoethyl piperazine" />
+<StructureFormula name="Structure"  value="H2NC2H4(NCH2CH2NHCH2CH2)" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="708" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3850000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.475" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="495.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="254.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="254.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0694812" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="129.203" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132257" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.557243" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.225E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21520" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08433" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.106E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.51E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.79E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.135E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.9891" />
+  <B value="-0.004913" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="101.66" />
+  <Tmax units="K"  value="254.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66681" />
+  <B value="0.27137" />
+  <C value="708" />
+  <D value="0.27214" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.7429" />
+  <B value="-12067.23" />
+  <C value="-15.04915" />
+  <D value="6.424073E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.785579E+07" />
+  <B value="0.814708" />
+  <C value="0.0237006" />
+  <D value="-0.690218" />
+  <E value="0.260899" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1710" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="254.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="259220" />
+  <B value="331.04" />
+  <C value="3.608" />
+  <D value="0.023605" />
+  <E value="-0.000018248" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="524" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70888" />
+  <B value="-450.73" />
+  <C value="13.066" />
+  <D value="0.00018285" />
+  <E value="-6.5268E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26459" />
+  <B value="-324.05" />
+  <C value="-122" />
+  <D value="-62238" />
+  <E value="41430" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-497.9054" />
+  <B value="22666.52" />
+  <C value="74.36022" />
+  <D value="-0.0000702789" />
+  <E value="2" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.7705E-08" />
+  <B value="0.8233" />
+  <C value="132.06" />
+  <D value="-8963.7" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.089882" />
+  <B value="-7.0061" />
+  <C value="-1.0711" />
+  <D value="-0.00065668" />
+  <E value="-0.0000005629" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="493.55" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00012973" />
+  <B value="0.99814" />
+  <C value="630.8" />
+  <D value="21962" />
+  <Tmin units="K"  value="493.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017548" />
+  <B value="79.8" />
+  <C value="-3.1218" />
+  <D value="0.00097678" />
+  <E value="-0.0000034661" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-21376" />
+  <B value="821.45" />
+  <C value="-0.51136" />
+  <D value="0.00012139" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.46" />
+  <B value="4725.8" />
+  <C value="-61.815" />
+  <Tmin units="K"  value="425.35" />
+  <Tmax units="K"  value="636.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.7273" />
+  <B value="-0.017627" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.460517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.133208E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.1157" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="125.591" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0587237" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.9852" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.557243" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132257" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.5591" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.424" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.557243" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21520" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="36"  value="1" />
+  <group id="33"  value="1" />
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
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+  <group id="29"  value="1" />
+  <group id="30"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="36"  value="1" />
+  <group id="33"  value="1" />
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="35"  value="1" />
+  <group id="32"  value="1" />
+  <group id="2"  value="3" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="140-31-8" />
+<Smiles name="SMILES"  value="C1CNCCN1CCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2717" />
+<CompoundID name="Name"  value="Diethylenetriamine" />
+<StructureFormula name="Structure"  value="(H2NCH2CH2)2NH" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="676" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.426" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="480" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0524649" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="103.166" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.108088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.70022" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.865E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22210" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07008" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5860000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.07293E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="444000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.97E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15789" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.08E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.376" />
+  <B value="-0.005886" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="93.66" />
+  <Tmax units="K"  value="234.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.75082" />
+  <B value="0.25686" />
+  <C value="676" />
+  <D value="0.285" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.1854" />
+  <B value="-10608.36" />
+  <C value="-10.96201" />
+  <D value="4.74905E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.200873E+07" />
+  <B value="-0.521717" />
+  <C value="2.922507" />
+  <D value="-3.785965" />
+  <E value="1.591946" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4677.2" />
+  <B value="636.48" />
+  <C value="-1.3531" />
+  <D value="0.0038102" />
+  <E value="-0.0000047797" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42291" />
+  <B value="-130.86" />
+  <C value="11.696" />
+  <D value="0.0024243" />
+  <E value="-0.0000011576" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="498" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73737" />
+  <B value="-451.7" />
+  <C value="12.705" />
+  <D value="0.00030197" />
+  <E value="-1.0181E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20692" />
+  <B value="-343.64" />
+  <C value="-96.031" />
+  <D value="-90293" />
+  <E value="176600" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.117" />
+  <B value="2075.7" />
+  <C value="-0.40711" />
+  <D value="6.9322E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7285E-08" />
+  <B value="0.85783" />
+  <C value="72.519" />
+  <D value="-3817.5" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078667" />
+  <B value="1.4114" />
+  <C value="-1.3167" />
+  <D value="-0.00041656" />
+  <E value="-8.7844E-07" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017737" />
+  <B value="0.94914" />
+  <C value="591.08" />
+  <D value="27011" />
+  <Tmin units="K"  value="480.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021703" />
+  <B value="47.519" />
+  <C value="-2.6592" />
+  <D value="-0.000080847" />
+  <E value="-0.0000026267" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5303.6" />
+  <B value="589.73" />
+  <C value="-0.34089" />
+  <D value="0.000076082" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.134" />
+  <B value="5149.9" />
+  <C value="-36.704" />
+  <Tmin units="K"  value="420.19" />
+  <Tmax units="K"  value="606.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.32144" />
+  <B value="-0.01858" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.377332" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.169053E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.6035" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.082" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048963" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880407" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.70022" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.108088" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6198" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.70022" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.108088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="30"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="29"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="30"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="29"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-40-0" />
+<Smiles name="SMILES"  value="NCCNCCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2732" />
+<CompoundID name="Name"  value="N-aminoethyl ethanolamine" />
+<StructureFormula name="Structure"  value="H2NCH2CH2NHCH2CH2OH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="698" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.387" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.151" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101519" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.04726" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.821E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29230" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06758" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.91E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3810000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.74E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.8" />
+  <B value="-1.6252E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76828" />
+  <B value="0.25238" />
+  <C value="698" />
+  <D value="0.28565" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="214.43" />
+  <B value="-18769" />
+  <C value="-27.15" />
+  <D value="0.00001141" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="698" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2005E+08" />
+  <B value="0.3465" />
+  <C value="0.971" />
+  <D value="-1.7132" />
+  <E value="0.81091" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65604" />
+  <B value="-121.74" />
+  <C value="11.802" />
+  <D value="0.0023485" />
+  <E value="-7.9478E-07" />
+  <Tmin units="K"  value="349" />
+  <Tmax units="K"  value="519" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75533" />
+  <B value="-495.37" />
+  <C value="12.77" />
+  <D value="0.00015714" />
+  <E value="-4.9852E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.088651" />
+  <B value="-82.595" />
+  <C value="-177.94" />
+  <D value="449510" />
+  <E value="-2249800" />
+  <Tmin units="K"  value="349" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-27.66295" />
+  <B value="5326.5" />
+  <C value="1.362383" />
+  <D value="-1.706454E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="517" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2606E-07" />
+  <B value="0.76222" />
+  <C value="173.4" />
+  <D value="-8594.2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1257" />
+  <B value="-10.607" />
+  <C value="-0.88928" />
+  <D value="-0.00060102" />
+  <E value="-5.9478E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="517" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00019261" />
+  <B value="0.93731" />
+  <C value="615.43" />
+  <D value="23918" />
+  <Tmin units="K"  value="517" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.046419" />
+  <B value="12.352" />
+  <C value="-2.0792" />
+  <D value="-0.001082" />
+  <E value="-0.0000005495" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2031.6" />
+  <B value="577.66" />
+  <C value="-0.34597" />
+  <D value="0.000080678" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.924" />
+  <B value="-9007" />
+  <C value="0" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="698" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.561" />
+  <B value="5615.5" />
+  <C value="-88.315" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="698" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="7.9594" />
+  <B value="-0.034824" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="517" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.363122" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.108882E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.0146" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.088" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.04649" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0254" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.04726" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101519" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.925" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.452" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.04726" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101519" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  <group id="29"  value="1" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  <group id="29"  value="1" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-41-1" />
+<Smiles name="SMILES"  value="NCCNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2750" />
+<CompoundID name="Name"  value="P-phenylenediamine" />
+<StructureFormula name="Structure"  value="(C6H4)(NH2)2" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="796" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.377" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="540" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="419" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="413" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1388.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.102198" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.53864" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.733E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0644" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.08E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.12E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.1E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="349000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.68E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.33E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.426" />
+  <B value="-0.0033838" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="165.2" />
+  <Tmax units="K"  value="413" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78274" />
+  <B value="0.24798" />
+  <C value="796" />
+  <D value="0.28573" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.7365" />
+  <B value="-13060.28" />
+  <C value="-13.71648" />
+  <D value="4.333592E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="796" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0783E+08" />
+  <B value="1.6408" />
+  <C value="-3.3392" />
+  <D value="3.5461" />
+  <E value="-1.4179" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5535.8" />
+  <B value="549.11" />
+  <C value="-0.79398" />
+  <D value="0.0014488" />
+  <E value="-0.0000011393" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="413" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="199750" />
+  <B value="494.23" />
+  <C value="5.1045" />
+  <D value="0.015817" />
+  <E value="-0.000010858" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="588" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58132" />
+  <B value="-482.33" />
+  <C value="12.882" />
+  <D value="-0.000085339" />
+  <E value="9.0492E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22693" />
+  <B value="-318.73" />
+  <C value="-138.3" />
+  <D value="-255620" />
+  <E value="535900" />
+  <Tmin units="K"  value="398" />
+  <Tmax units="K"  value="1830" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9816" />
+  <B value="2291" />
+  <C value="-0.53494" />
+  <D value="2.8717E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4679E-07" />
+  <B value="0.74191" />
+  <C value="224.79" />
+  <D value="-11478" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0030572" />
+  <B value="-268.6" />
+  <C value="0.38244" />
+  <D value="-0.0036549" />
+  <E value="8.2114E-07" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000070276" />
+  <B value="1.0203" />
+  <C value="189.91" />
+  <D value="62690" />
+  <Tmin units="K"  value="540" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012384" />
+  <B value="521.02" />
+  <C value="-5.5892" />
+  <D value="0.0063731" />
+  <E value="-0.0000072097" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13543" />
+  <B value="616.65" />
+  <C value="-0.42898" />
+  <D value="0.00010942" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.019" />
+  <B value="4568.9" />
+  <C value="-104.99" />
+  <Tmin units="K"  value="489.6" />
+  <Tmax units="K"  value="715.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0631" />
+  <B value="-0.011145" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.345195" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.183731E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="343.4411" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="104.66" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0460999" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.164317" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.53864" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.102198" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.232" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.53864" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<UnifacVLE name="UNIFAC" >
+  <group id="37"  value="2" />
+  <group id="10"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="43"  value="2" />
+  <group id="9"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="29"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="37"  value="2" />
+  <group id="10"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="36"  value="2" />
+  <group id="9"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-50-3" />
+<Smiles name="SMILES"  value="c1(N)ccc(N)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2752" />
+<CompoundID name="Name"  value="Piperazine" />
+<StructureFormula name="Structure"  value="-NHCH2CH2NHCH2CH2-" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="656.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.267" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2652" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="419.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="379.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="379.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="26372.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.1356" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.129371" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.269668" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.90339E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05708" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.38E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.7E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.17E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.76E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.576" />
+  <B value="-0.0026896" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4074" />
+  <B value="0.323" />
+  <C value="638" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.27" />
+  <B value="-11245" />
+  <C value="-17.657" />
+  <D value="0.0000096236" />
+  <E value="2" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6945E+07" />
+  <B value="0.99602" />
+  <C value="-2.0069" />
+  <D value="2.4018" />
+  <E value="-0.97129" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-377150" />
+  <B value="4505.5" />
+  <C value="-17.799" />
+  <D value="0.035442" />
+  <E value="-0.000026404" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="384.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="32886.27" />
+  <B value="346.6189" />
+  <C value="0.473406" />
+  <D value="-0.000434168" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="638" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68463" />
+  <B value="-744.16" />
+  <C value="13.556" />
+  <D value="-0.00073698" />
+  <E value="1.7652E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16381" />
+  <B value="-201.87" />
+  <C value="-47.429" />
+  <D value="-2534.9" />
+  <E value="-24066" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="24.341" />
+  <B value="105.42" />
+  <C value="-5.6537" />
+  <D value="0.0000060109" />
+  <E value="2" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000022951" />
+  <B value="0.42453" />
+  <C value="937.27" />
+  <D value="-18307" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029211" />
+  <B value="-334.85" />
+  <C value="0.86034" />
+  <D value="-0.0073343" />
+  <E value="0.0000029317" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014866" />
+  <B value="0.6319" />
+  <C value="-11.551" />
+  <D value="345800" />
+  <Tmin units="K"  value="419.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.0533278" />
+  <B value="1.232" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="656.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-51888" />
+  <B value="720.62" />
+  <C value="-0.52354" />
+  <D value="0.00013324" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.737" />
+  <B value="3535.7" />
+  <C value="-73.202" />
+  <Tmin units="K"  value="392.09" />
+  <Tmax units="K"  value="573.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2893" />
+  <B value="-0.010036" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304509" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.901426E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="712.6282" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.323" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0290647" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720588" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.41376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.129371" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7628" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.41376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17960" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.129371" />
+<UnifacVLE name="UNIFAC" >
+  <group id="33"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="13"  value="4" />
+  <group id="30"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="33"  value="2" />
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="32"  value="2" />
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-85-0" />
+<Smiles name="SMILES"  value="N1CCNCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6862" />
+<CompoundID name="Name"  value="Methylethanolamine" />
+<StructureFormula name="Structure"  value="CH3NHCH2CH2OH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="630" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.25901" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="432.388" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="11.1091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="75.112" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.082206" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.604" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05025" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.98E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.11E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="344000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8760000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.36403" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.01E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="16.367" />
+  <B value="-0.0076153" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.46" />
+  <Tmax units="K"  value="268.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.982868" />
+  <B value="0.255663" />
+  <C value="630" />
+  <D value="0.231239" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="101.1268" />
+  <B value="-9896.461" />
+  <C value="-11.12231" />
+  <D value="4.333878E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="630" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.3715E+07" />
+  <B value="1.1304" />
+  <C value="-1.7736" />
+  <D value="1.7333" />
+  <E value="-0.66961" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1490" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="65879.9" />
+  <B value="415.0007" />
+  <C value="0.00004583" />
+  <D value="2.109E-09" />
+  <E value="-0.0000030816" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="465" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50351" />
+  <B value="-464.92" />
+  <C value="12.353" />
+  <D value="0.00032078" />
+  <E value="-1.1521E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16573" />
+  <B value="-171.59" />
+  <C value="-61.863" />
+  <D value="-10326" />
+  <E value="-8446.2" />
+  <Tmin units="K"  value="315" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.8113" />
+  <B value="2947" />
+  <C value="-0.99316" />
+  <D value="4.0603E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1919E-07" />
+  <B value="0.70935" />
+  <C value="211" />
+  <D value="-8775.4" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.011378" />
+  <B value="-96.849" />
+  <C value="-0.47605" />
+  <D value="-0.0029428" />
+  <E value="4.7129E-07" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021463" />
+  <B value="0.94857" />
+  <C value="622.07" />
+  <D value="15372" />
+  <Tmin units="K"  value="431.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011359" />
+  <B value="194.04" />
+  <C value="-4.2168" />
+  <D value="0.0039447" />
+  <E value="-0.0000077857" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-3617.1" />
+  <B value="432.68" />
+  <C value="-0.26594" />
+  <D value="0.000065752" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.175" />
+  <B value="3679.7" />
+  <C value="-85.876" />
+  <Tmin units="K"  value="382.76" />
+  <Tmax units="K"  value="557.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.6732" />
+  <B value="-0.027534" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.267184" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.934566E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.2366" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.847" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337966" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.604" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.082206" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7825" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.524" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.604" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.082206" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="32"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="32"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  <group id="31"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-83-1" />
+<Smiles name="SMILES"  value="CNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6863" />
+<CompoundID name="Name"  value="Dimethylethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2N(CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571.82" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.331" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="214.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="214.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0376223" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.1362" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101094" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.710963" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.46249E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06017" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.02E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.64E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="384000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.805" />
+  <B value="-0.0080578" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="85.66" />
+  <Tmax units="K"  value="214.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.87166" />
+  <B value="0.26133" />
+  <C value="571.82" />
+  <D value="0.28585" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.6094" />
+  <B value="-10451.37" />
+  <C value="-14.23754" />
+  <D value="0.000006927" />
+  <E value="2" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.9011E+07" />
+  <B value="0.56455" />
+  <C value="-0.031757" />
+  <D value="-0.28621" />
+  <E value="0.17191" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1800" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="214.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66692" />
+  <B value="-55.489" />
+  <C value="10.897" />
+  <D value="0.0047237" />
+  <E value="-0.0000030382" />
+  <Tmin units="K"  value="299.91" />
+  <Tmax units="K"  value="425.91" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71203" />
+  <B value="-582.55" />
+  <C value="12.891" />
+  <D value="-0.000082299" />
+  <E value="3.2172E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21155" />
+  <B value="-189.81" />
+  <C value="-51.091" />
+  <D value="-19900" />
+  <E value="29045" />
+  <Tmin units="K"  value="285.91" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.376" />
+  <B value="3350.8" />
+  <C value="-0.34232" />
+  <D value="9.4723E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="457.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2904E-07" />
+  <B value="0.77955" />
+  <C value="165.36" />
+  <D value="-6888.3" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.083559" />
+  <B value="-10.945" />
+  <C value="-0.99458" />
+  <D value="-0.00097463" />
+  <E value="-8.1342E-07" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="407.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023136" />
+  <B value="0.92757" />
+  <C value="412.5" />
+  <D value="95357" />
+  <Tmin units="K"  value="407.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0127" />
+  <B value="89.713" />
+  <C value="-3.389" />
+  <D value="0.0019204" />
+  <E value="-0.0000065659" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13496" />
+  <B value="570.3" />
+  <C value="-0.37223" />
+  <D value="0.000097254" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.242" />
+  <B value="3423.1" />
+  <C value="-87.75" />
+  <Tmin units="K"  value="345.92" />
+  <Tmax units="K"  value="500.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.354" />
+  <B value="-0.033071" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="457.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.32159" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.469723E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.5367" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="99.66" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.892" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.710963" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101094" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4363" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.068" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.710963" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101094" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  <group id="1"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-01-0" />
+<Smiles name="SMILES"  value="CN(C)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1760" />
+<CompoundID name="Name"  value="Nitromethane" />
+<StructureFormula name="Structure"  value="CH3NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="588" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.173" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.208" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="244.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="244.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="146.529" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="61.04" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05396" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.348026" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.3544E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.15E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03047" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.69E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.48E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6940000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9703000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.13877" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.432E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.924" />
+  <B value="-0.011419" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="97.84" />
+  <Tmax units="K"  value="244.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2195" />
+  <B value="0.22476" />
+  <C value="588.16" />
+  <D value="0.2787" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.27" />
+  <B value="-7345.1" />
+  <C value="-10.689" />
+  <D value="0.0000086998" />
+  <E value="2" />
+  <Tmin units="K"  value="244.15" />
+  <Tmax units="K"  value="588.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.160998E+07" />
+  <B value="-0.662124" />
+  <C value="2.67118" />
+  <D value="-2.702805" />
+  <E value="0.931262" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="570.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24756" />
+  <B value="206.1" />
+  <C value="2.378" />
+  <D value="-0.021867" />
+  <E value="0.000053521" />
+  <Tmin units="K"  value="59.98" />
+  <Tmax units="K"  value="235.46" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80588" />
+  <B value="345.48" />
+  <C value="6.7575" />
+  <D value="0.0084794" />
+  <E value="-0.0000031326" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38681" />
+  <B value="-615.84" />
+  <C value="11.895" />
+  <D value="0.000023118" />
+  <E value="-2.9677E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.09758" />
+  <B value="-168.84" />
+  <C value="-42.71" />
+  <D value="-11412" />
+  <E value="-9713.2" />
+  <Tmin units="K"  value="294" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.411" />
+  <B value="1047.6" />
+  <C value="-0.095445" />
+  <D value="6.9198E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.2141E-07" />
+  <B value="0.64539" />
+  <C value="383.4" />
+  <D value="-1344.5" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.050889" />
+  <B value="-150.55" />
+  <C value="-0.2952" />
+  <D value="-0.0028403" />
+  <E value="-0.0000022109" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000031393" />
+  <B value="1.1117" />
+  <C value="-91.903" />
+  <D value="128140" />
+  <Tmin units="K"  value="374.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.04012" />
+  <B value="-18.606" />
+  <C value="-1.9227" />
+  <D value="-0.0017487" />
+  <E value="-7.2781E-07" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="570.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34888" />
+  <B value="-9.1625" />
+  <C value="0.42886" />
+  <D value="-0.00055882" />
+  <E value="2.2116E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.75919" />
+  <B value="-10000" />
+  <C value="-118.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.699" />
+  <B value="3368.7" />
+  <C value="-43.222" />
+  <Tmin units="K"  value="353.09" />
+  <Tmax units="K"  value="515.82" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.171" />
+  <B value="-0.01068" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16151" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.84307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="134.6848" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.208" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="39.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.9816" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0238563" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.141871" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.348026" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.05396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.0086" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.868" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.02291" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.348026" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="55"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="44"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="55"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="54"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-52-5" />
+<Smiles name="SMILES"  value="CN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1761" />
+<CompoundID name="Name"  value="Nitroethane" />
+<StructureFormula name="Structure"  value="CH3CH2NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.236" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0317711" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="75.0666" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0720005" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.672348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7949E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0407" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.02E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.022E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4900000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9853000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.53" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.25E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.737" />
+  <B value="-0.01194" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.45" />
+  <Tmax units="K"  value="183.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90007" />
+  <B value="0.22451" />
+  <C value="593.01" />
+  <D value="0.26359" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="593" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.03385" />
+  <B value="-7188.308" />
+  <C value="-8.680357" />
+  <D value="0.0000053196" />
+  <E value="2" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="595" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.428692E+07" />
+  <B value="0.314015" />
+  <C value="-0.225443" />
+  <D value="1.068645" />
+  <E value="-0.953684" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="549.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5490.6" />
+  <B value="767.61" />
+  <C value="-3.7362" />
+  <D value="0.014315" />
+  <E value="-0.000017981" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67990" />
+  <B value="798.52" />
+  <C value="2.4874" />
+  <D value="0.02816" />
+  <E value="-0.000027001" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48198" />
+  <B value="-581.79" />
+  <C value="12.283" />
+  <D value="0.000023838" />
+  <E value="-2.2739E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15234" />
+  <B value="-172.56" />
+  <C value="-45.201" />
+  <D value="-57753" />
+  <E value="108450" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1892.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.403" />
+  <B value="194.75" />
+  <C value="-4.2217" />
+  <D value="0.0000078126" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4631E-07" />
+  <B value="0.70062" />
+  <C value="285.76" />
+  <D value="-1030.8" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1486" />
+  <B value="6.324" />
+  <C value="-1.0708" />
+  <D value="0.00009663" />
+  <E value="-0.0000015981" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011064" />
+  <B value="0.69186" />
+  <C value="675.03" />
+  <D value="236860" />
+  <Tmin units="K"  value="387.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0024376" />
+  <B value="342.16" />
+  <C value="-7.0402" />
+  <D value="0.016727" />
+  <E value="-0.000027883" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="549.91" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10768" />
+  <B value="271.27" />
+  <C value="-0.13688" />
+  <D value="0.000024329" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-22.38503" />
+  <B value="-9850" />
+  <C value="-59.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.48" />
+  <B value="3381.9" />
+  <C value="-47.509" />
+  <Tmin units="K"  value="334.45" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6566" />
+  <B value="-0.011965" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.215813" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.175128E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="236.916" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="60.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0298367" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.054543" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.380324" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0720005" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6829" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.408" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.380324" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0720005" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-24-3" />
+<Smiles name="SMILES"  value="CCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1762" />
+<CompoundID name="Name"  value="1-nitropropane" />
+<StructureFormula name="Structure"  value="CH3CH2CH2NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000688982" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.0932" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0894679" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412773" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05093" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.37E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.24E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="335000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="355600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9220000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.859E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.957" />
+  <B value="-0.010505" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.66" />
+  <Tmax units="K"  value="169.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85075" />
+  <B value="0.24483" />
+  <C value="605" />
+  <D value="0.27413" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="38.65807" />
+  <B value="-5750.644" />
+  <C value="-2.115655" />
+  <D value="-1.225423E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6307E+07" />
+  <B value="0.47767" />
+  <C value="-0.18338" />
+  <D value="0.057255" />
+  <E value="-0.028311" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="131170" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="605" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-8835.6" />
+  <B value="176.43" />
+  <C value="9.53" />
+  <D value="0.0096176" />
+  <E value="-0.0000099253" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57745" />
+  <B value="-538.37" />
+  <C value="12.483" />
+  <D value="0.00011202" />
+  <E value="-5.1502E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18935" />
+  <B value="-215.56" />
+  <C value="-56.681" />
+  <D value="-61127" />
+  <E value="111790" />
+  <Tmin units="K"  value="302.5" />
+  <Tmax units="K"  value="1934.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.997" />
+  <B value="1653" />
+  <C value="1.2605" />
+  <D value="0.0000015194" />
+  <E value="2" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7108E-07" />
+  <B value="0.7401" />
+  <C value="220.03" />
+  <D value="-15.073" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.068381" />
+  <B value="13.221" />
+  <C value="-1.3628" />
+  <D value="-0.00024357" />
+  <E value="-0.0000012535" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0022117" />
+  <B value="0.61538" />
+  <C value="875.34" />
+  <D value="312410" />
+  <Tmin units="K"  value="404.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035529" />
+  <B value="0.58517" />
+  <C value="-2.3314" />
+  <D value="-0.00099947" />
+  <E value="-0.0000011138" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8797.2" />
+  <B value="373.51" />
+  <C value="-0.1991" />
+  <D value="0.000038609" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.552" />
+  <B value="3564.5" />
+  <C value="-49.073" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="536.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6872" />
+  <B value="-0.011404" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.270875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.535366E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.8416" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="80.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0376918" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.006497" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412773" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0894679" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3573" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412773" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0894679" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-03-2" />
+<Smiles name="SMILES"  value="CCCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1763" />
+<CompoundID name="Name"  value="2-nitropropane" />
+<StructureFormula name="Structure"  value="CH3CH(NO2)CH3" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="595" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4450000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="393.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.021584" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.0932" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0905535" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383568" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.273E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.24E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.36E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.39E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.2803E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="347700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7790000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.846E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.679" />
+  <B value="-0.0096732" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.73" />
+  <Tmax units="K"  value="181.83" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27031" />
+  <B value="0.13967" />
+  <C value="595" />
+  <D value="0.17588" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="57.04038" />
+  <B value="-6262.318" />
+  <C value="-4.993807" />
+  <D value="1.61213E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.543435E+07" />
+  <B value="0.377393" />
+  <C value="0.18894" />
+  <D value="-0.0391329" />
+  <E value="-0.243258" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="131170" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="595" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67863" />
+  <B value="138.63" />
+  <C value="8.8679" />
+  <D value="0.01051" />
+  <E value="-0.00001051" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58543" />
+  <B value="-558.36" />
+  <C value="12.559" />
+  <D value="0.000040137" />
+  <E value="-3.1383E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17935" />
+  <B value="-204.53" />
+  <C value="-50.86" />
+  <D value="-56062" />
+  <E value="103000" />
+  <Tmin units="K"  value="297" />
+  <Tmax units="K"  value="1899" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-26.48" />
+  <B value="1441.6" />
+  <C value="2.6439" />
+  <D value="-0.0000074647" />
+  <E value="2" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000005644" />
+  <B value="0.32789" />
+  <C value="1291.7" />
+  <D value="6279.8" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.085284" />
+  <B value="-50.915" />
+  <C value="-1.467" />
+  <D value="-0.0035856" />
+  <E value="-0.000001687" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0042281" />
+  <B value="0.52696" />
+  <C value="790.25" />
+  <D value="431610" />
+  <Tmin units="K"  value="393.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015626" />
+  <B value="18.663" />
+  <C value="-2.7222" />
+  <D value="-0.00050234" />
+  <E value="-0.0000033626" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7449" />
+  <B value="381.45" />
+  <C value="-0.20531" />
+  <D value="0.000039841" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.572" />
+  <B value="3562.3" />
+  <C value="-38.858" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="528.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9011" />
+  <B value="-0.014208" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.270821" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.20499E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.3226" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="80.63" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372943" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.994733" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383568" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0905535" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3573" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383568" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0905535" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-46-9" />
+<Smiles name="SMILES"  value="CC(N(=O)=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1769" />
+<CompoundID name="Name"  value="1-nitrobutane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="623" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.338" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="191.82" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="191.82" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00329301" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="103.12" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.106476" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.454584" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.558E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06116" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.439E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.5E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="379100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.27E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08195" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.46965E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.265" />
+  <B value="-0.0086439" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.73" />
+  <Tmax units="K"  value="191.82" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.709" />
+  <B value="0.24401" />
+  <C value="623" />
+  <D value="0.28339" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="275.2044" />
+  <B value="-15483.84" />
+  <C value="-38.70231" />
+  <D value="0.0000386" />
+  <E value="2" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="623" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.525605E+07" />
+  <B value="-1.025854" />
+  <C value="4.47262" />
+  <D value="-4.675607" />
+  <E value="1.466497" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1900" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="191.82" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56152" />
+  <B value="6.6387" />
+  <C value="10.762" />
+  <D value="0.003942" />
+  <E value="-0.0000013791" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="467.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69545" />
+  <B value="-548.77" />
+  <C value="12.729" />
+  <D value="0.0001233" />
+  <E value="-6.7656E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22917" />
+  <B value="-262.47" />
+  <C value="-73.827" />
+  <D value="-67561" />
+  <E value="117970" />
+  <Tmin units="K"  value="311.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4776" />
+  <B value="1274.9" />
+  <C value="-0.51437" />
+  <D value="0.0000019485" />
+  <E value="2" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0308E-08" />
+  <B value="0.82266" />
+  <C value="144.36" />
+  <D value="-9193.7" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.088752" />
+  <B value="4.014" />
+  <C value="-1.2388" />
+  <D value="-0.00043694" />
+  <E value="-0.0000009691" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013665" />
+  <B value="0.98745" />
+  <C value="630.3" />
+  <D value="15608" />
+  <Tmin units="K"  value="425.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043136" />
+  <B value="2.5171" />
+  <C value="-2.3094" />
+  <D value="-0.00084543" />
+  <E value="-8.2017E-07" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1162" />
+  <B value="505.07" />
+  <C value="-0.28865" />
+  <D value="0.000060633" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.871" />
+  <B value="3253.5" />
+  <C value="-77.411" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="554.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.177" />
+  <B value="-0.015145" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.327091" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.926947E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.7988" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450147" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.978442" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.454584" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106476" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.488" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.454584" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106476" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="627-05-4" />
+<Smiles name="SMILES"  value="CCCCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1778" />
+<CompoundID name="Name"  value="O-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="720" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="494.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="269.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="269.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.72928" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.118442" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.487824" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.309E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.25E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.715E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.148E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2029" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5914E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.967" />
+  <B value="-0.0045272" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.99" />
+  <Tmax units="K"  value="269.98" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49527" />
+  <B value="0.21852" />
+  <C value="720" />
+  <D value="0.27202" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.496" />
+  <B value="-10356.21" />
+  <C value="-12.86215" />
+  <D value="7.080827E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="265" />
+  <Tmax units="K"  value="720" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.853006E+07" />
+  <B value="0.959622" />
+  <C value="-1.263212" />
+  <D value="1.073123" />
+  <E value="-0.436452" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23321" />
+  <B value="179.27" />
+  <C value="6.0748" />
+  <D value="-0.034038" />
+  <E value="0.000061259" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="269.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="167320" />
+  <B value="675.67" />
+  <C value="2.8482" />
+  <D value="0.023742" />
+  <E value="-0.00001748" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="540" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25342" />
+  <B value="-324.82" />
+  <C value="-137.34" />
+  <D value="-228340" />
+  <E value="439210" />
+  <Tmin units="K"  value="360" />
+  <Tmax units="K"  value="1980" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-227.78" />
+  <B value="9560.6" />
+  <C value="33.954" />
+  <D value="-0.00004379" />
+  <E value="2" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9111E-08" />
+  <B value="0.92063" />
+  <C value="61.279" />
+  <D value="-2619.3" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.28005" />
+  <B value="20.455" />
+  <C value="-0.90478" />
+  <D value="0.000049377" />
+  <E value="-4.8022E-07" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="576" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013501" />
+  <B value="0.95252" />
+  <C value="632.43" />
+  <D value="27080" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.07846" />
+  <B value="-32.848" />
+  <C value="-1.5968" />
+  <D value="-0.0015031" />
+  <E value="3.3724E-07" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-20.0046" />
+  <B value="-10000" />
+  <C value="-82.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.718" />
+  <B value="4428.1" />
+  <C value="-60.639" />
+  <Tmin units="K"  value="435.78" />
+  <Tmax units="K"  value="645" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.2034" />
+  <B value="-0.01309" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.543371E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="480.8555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.28" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.61215" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.054527" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.057273" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.487824" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.118442" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2945" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.487824" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.118442" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="88-72-2" />
+<Smiles name="SMILES"  value="c1(C)c(N(=O)=O)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1779" />
+<CompoundID name="Name"  value="P-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="511.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="324.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="40.4829" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.121894" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.542405" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.371E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.48E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.1E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.554E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6676E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.178424" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.553E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.955" />
+  <B value="-0.0051608" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="324.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76802" />
+  <B value="0.27463" />
+  <C value="736" />
+  <D value="0.3126" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="720.99" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.4618" />
+  <B value="-11239.6" />
+  <C value="-13.3636" />
+  <D value="5.387653E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="743" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.550237E+08" />
+  <B value="1.89329" />
+  <C value="-1.014085" />
+  <D value="-0.0168324" />
+  <E value="-0.442436" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="720.99" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8048.3" />
+  <B value="609060" />
+  <C value="-6008.8" />
+  <D value="19.783" />
+  <E value="-0.021716" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90280" />
+  <B value="945.96" />
+  <C value="3.9359" />
+  <D value="0.019415" />
+  <E value="-0.000013352" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="557.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3096" />
+  <B value="-430.56" />
+  <C value="-175.46" />
+  <D value="-349500" />
+  <E value="685920" />
+  <Tmin units="K"  value="371.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-164.01" />
+  <B value="7455.2" />
+  <C value="23.73" />
+  <D value="-0.000026464" />
+  <E value="2" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="594.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.1207E-08" />
+  <B value="0.91154" />
+  <C value="64.997" />
+  <D value="-92.66" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1404" />
+  <B value="23.385" />
+  <C value="-1.2743" />
+  <D value="-0.000067534" />
+  <E value="-5.8708E-07" />
+  <Tmin units="K"  value="220.8" />
+  <Tmax units="K"  value="580.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000064675" />
+  <B value="1.0353" />
+  <C value="391.41" />
+  <D value="37904" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017488" />
+  <B value="-28.223" />
+  <C value="-2.4034" />
+  <D value="-0.00054634" />
+  <E value="-0.0000022569" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="720.99" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.94037" />
+  <B value="-10000" />
+  <C value="-66.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.068" />
+  <B value="4086.9" />
+  <C value="-83.592" />
+  <Tmin units="K"  value="445" />
+  <Tmax units="K"  value="654.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6317" />
+  <B value="-0.0093276" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="594.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.328918E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="238.341" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.054156" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.050112" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.542405" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121894" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.425222" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.121894" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-99-0" />
+<Smiles name="SMILES"  value="c1(C)ccc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1780" />
+<CompoundID name="Name"  value="M-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="734" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="504" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="288.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.84272" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.118913" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.491987" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.41E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.502E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.406E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.21" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5696E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.744" />
+  <B value="-0.0041348" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.68" />
+  <Tmax units="K"  value="289.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50673" />
+  <B value="0.22353" />
+  <C value="734" />
+  <D value="0.25642" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="734" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.0974" />
+  <B value="-13266.49" />
+  <C value="-22.50751" />
+  <D value="0.0000146534" />
+  <E value="2" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="734" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.23147E+08" />
+  <B value="2.991682" />
+  <C value="-5.10633" />
+  <D value="3.432299" />
+  <E value="-0.844633" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="734" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13048" />
+  <B value="562.7" />
+  <C value="1.2374" />
+  <D value="-0.0092642" />
+  <E value="0.000017191" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="289.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165480" />
+  <B value="678.6" />
+  <C value="2.6976" />
+  <D value="0.024579" />
+  <E value="-0.000018568" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="550.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2479" />
+  <B value="-319.54" />
+  <C value="-155.56" />
+  <D value="-309650" />
+  <E value="619890" />
+  <Tmin units="K"  value="367" />
+  <Tmax units="K"  value="1687" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-219.04" />
+  <B value="9323.8" />
+  <C value="32.506" />
+  <D value="-0.000040609" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6657E-08" />
+  <B value="0.9283" />
+  <C value="56.912" />
+  <D value="-1935.8" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16653" />
+  <B value="2.5129" />
+  <C value="-1.0577" />
+  <D value="-0.0003596" />
+  <E value="-3.0249E-07" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013182" />
+  <B value="0.95336" />
+  <C value="611.68" />
+  <D value="32295" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028468" />
+  <B value="-35.938" />
+  <C value="-2.0197" />
+  <D value="-0.0016065" />
+  <E value="-6.1813E-07" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="710.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.29583" />
+  <B value="-10000" />
+  <C value="-71.4" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.046" />
+  <B value="4823.7" />
+  <C value="-47.238" />
+  <Tmin units="K"  value="444.4" />
+  <Tmax units="K"  value="645" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7259" />
+  <B value="-0.011764" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.686394E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="459.4169" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0536831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.052241" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.491987" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.118913" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.491987" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.118913" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-08-1" />
+<Smiles name="SMILES"  value="c1(C)cc(N(=O)=O)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2743" />
+<CompoundID name="Name"  value="2,4-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="814" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="553" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="333" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="342.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.8719" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.137448" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.712571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.07E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.44E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.36E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.18E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.0126E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.416E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4055" />
+  <B value="-0.00020398" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5108" />
+  <B value="0.24037" />
+  <C value="814" />
+  <D value="0.26806" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="789.19" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.9329" />
+  <B value="-13393.44" />
+  <C value="-15.15736" />
+  <D value="5.597038E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2919E+08" />
+  <B value="1.3248" />
+  <C value="1.0872" />
+  <D value="-4.8737" />
+  <E value="2.858" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="789.19" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="48.36" />
+  <B value="3539.4" />
+  <C value="-18.134" />
+  <D value="0.041289" />
+  <E value="-0.000035254" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88958" />
+  <B value="1324.4" />
+  <C value="2.7528" />
+  <D value="0.019721" />
+  <E value="-0.000011079" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31157" />
+  <B value="-359" />
+  <C value="-324.62" />
+  <D value="-771130" />
+  <E value="1449700" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.408" />
+  <B value="3947.7" />
+  <C value="4.2203" />
+  <D value="-0.0000035178" />
+  <E value="2" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9809E-08" />
+  <B value="1.0159" />
+  <C value="22.316" />
+  <D value="-3670.3" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057001" />
+  <B value="-67.01" />
+  <C value="-0.90194" />
+  <D value="-0.0013614" />
+  <E value="-3.0209E-08" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011852" />
+  <B value="0.95914" />
+  <C value="734.05" />
+  <D value="13896" />
+  <Tmin units="K"  value="590" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.076326" />
+  <B value="-4.6299" />
+  <C value="-1.6478" />
+  <D value="-0.0012028" />
+  <E value="7.9965E-08" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="789.19" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.142" />
+  <B value="7851.3" />
+  <C value="30.661" />
+  <Tmin units="K"  value="490" />
+  <Tmax units="K"  value="714.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.46" />
+  <B value="-0.013192" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.938808E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="336.1519" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.065157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.376363" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.712571" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.137448" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.712571" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.137448" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="121-14-2" />
+<Smiles name="SMILES"  value="c1(C)c(N(=O)=O)cc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2744" />
+<CompoundID name="Name"  value="2,6-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="780" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="553" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="339" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="337.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="24.9565" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136568" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.714206" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.887E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.86E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.32E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.429E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4498" />
+  <B value="-1.9264E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27332" />
+  <B value="0.17415" />
+  <C value="780" />
+  <D value="0.22386" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="747.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.7657" />
+  <B value="-12082.2" />
+  <C value="-13.31782" />
+  <D value="5.09858E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.041715E+08" />
+  <B value="1.247529" />
+  <C value="0.0309575" />
+  <D value="-2.851863" />
+  <E value="1.938855" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8264.5" />
+  <B value="917.86" />
+  <C value="-1.527" />
+  <D value="0.0032636" />
+  <E value="-0.0000030408" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="337.85" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="163490" />
+  <B value="785.69" />
+  <C value="5.0684" />
+  <D value="0.014589" />
+  <E value="-0.0000070833" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.5317" />
+  <B value="-704.49" />
+  <C value="-124.14" />
+  <D value="-895340" />
+  <E value="2377800" />
+  <Tmin units="K"  value="385" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-70.386" />
+  <B value="5310.9" />
+  <C value="8.6262" />
+  <D value="-0.0000081126" />
+  <E value="2" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9592E-08" />
+  <B value="0.88167" />
+  <C value="135.78" />
+  <D value="-11605" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.039901" />
+  <B value="-99.466" />
+  <C value="-0.76681" />
+  <D value="-0.0019329" />
+  <E value="1.8512E-07" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015932" />
+  <B value="0.92355" />
+  <C value="690.15" />
+  <D value="19720" />
+  <Tmin units="K"  value="558" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012803" />
+  <B value="255.04" />
+  <C value="-4.0121" />
+  <D value="0.0034159" />
+  <E value="-0.0000055401" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.68" />
+  <B value="10368" />
+  <C value="125.19" />
+  <Tmin units="K"  value="470" />
+  <Tmax units="K"  value="701.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-0.49935" />
+  <B value="-0.0153" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.057052E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.1365" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0654633" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.383668" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.714206" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136568" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.714206" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136568" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="606-20-2" />
+<Smiles name="SMILES"  value="c1c(N(=O)=O)c(C)c(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2745" />
+<CompoundID name="Name"  value="3,4-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="842" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.237" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="610" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="331.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="331.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.66366" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.139231" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.709209" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.859E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.13E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.59E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.08E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.466E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1125" />
+  <B value="-0.0030536" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="132.58" />
+  <Tmax units="K"  value="332" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48567" />
+  <B value="0.23619" />
+  <C value="842" />
+  <D value="0.28583" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.33838" />
+  <B value="-11025.98" />
+  <C value="-5.109566" />
+  <D value="1.997931E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.888359E+07" />
+  <B value="-1.153409" />
+  <C value="5.750305" />
+  <D value="-8.495374" />
+  <E value="4.124815" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8196.6" />
+  <B value="920.11" />
+  <C value="-1.551" />
+  <D value="0.0033644" />
+  <E value="-0.0000031849" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="331.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="144440" />
+  <B value="677.88" />
+  <C value="6.2554" />
+  <D value="0.011911" />
+  <E value="-0.000005235" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28426" />
+  <B value="-305.85" />
+  <C value="-425.92" />
+  <D value="-1893800" />
+  <E value="4300100" />
+  <Tmin units="K"  value="421" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.817" />
+  <B value="2734.2" />
+  <C value="0.029663" />
+  <D value="-2.4471E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8655E-08" />
+  <B value="0.96106" />
+  <C value="104.06" />
+  <D value="-10189" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.082395" />
+  <B value="-25.284" />
+  <C value="-1.0996" />
+  <D value="-0.00075328" />
+  <E value="-2.6136E-07" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001043" />
+  <B value="0.96342" />
+  <C value="702.61" />
+  <D value="22699" />
+  <Tmin units="K"  value="610" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012927" />
+  <B value="157.29" />
+  <C value="-3.3747" />
+  <D value="0.0014221" />
+  <E value="-0.000003365" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.341" />
+  <B value="10770" />
+  <C value="116.96" />
+  <Tmin units="K"  value="519.55" />
+  <Tmax units="K"  value="740" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.4661" />
+  <B value="-0.013088" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.261456E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.5456" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0651537" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.348237" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.709209" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139231" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.709209" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21410" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139231" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="610-39-9" />
+<Smiles name="SMILES"  value="c1c(N(=O)=O)c(N(=O)=O)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2748" />
+<CompoundID name="Name"  value="2,5-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="814" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.237" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="590" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="323.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.04164" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.135666" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.712285" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.997E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.93E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.36E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.03E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.446E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3517" />
+  <B value="-0.0032112" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="129.39" />
+  <Tmax units="K"  value="325.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50237" />
+  <B value="0.23693" />
+  <C value="814" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.89499" />
+  <B value="-12036.13" />
+  <C value="-9.395524" />
+  <D value="2.853055E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5817E+07" />
+  <B value="-1.8578" />
+  <C value="6.6656" />
+  <D value="-8.4526" />
+  <E value="3.8136" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8111.1" />
+  <B value="922.97" />
+  <C value="-1.582" />
+  <D value="0.0034965" />
+  <E value="-0.0000033776" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="323.48" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152220" />
+  <B value="711.2" />
+  <C value="5.8598" />
+  <D value="0.012789" />
+  <E value="-0.0000058246" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34331" />
+  <B value="-415.02" />
+  <C value="-293.07" />
+  <D value="-272710" />
+  <E value="53719" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.391" />
+  <B value="2604.7" />
+  <C value="-0.5024" />
+  <D value="5.1688E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.8924E-08" />
+  <B value="0.93015" />
+  <C value="82.835" />
+  <D value="-8099.3" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078898" />
+  <B value="-29.065" />
+  <C value="-1.0796" />
+  <D value="-0.00084649" />
+  <E value="-2.5074E-07" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001568" />
+  <B value="0.92031" />
+  <C value="704.11" />
+  <D value="20197" />
+  <Tmin units="K"  value="590" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014691" />
+  <B value="149.15" />
+  <C value="-3.2422" />
+  <D value="0.0014191" />
+  <E value="-0.0000035371" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="25.215" />
+  <B value="8927.2" />
+  <C value="62.336" />
+  <Tmin units="K"  value="489.39" />
+  <Tmax units="K"  value="710.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.0809" />
+  <B value="-0.013945" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.261456E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.2852" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0651127" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.377369" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.712285" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.135666" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.712285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21390" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.135666" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="619-15-8" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)c(C)cc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2749" />
+<CompoundID name="Name"  value="3,5-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="800" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="588" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="366.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="365.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="35.4684" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.702302" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.44E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.34E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.29E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.437E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.0259" />
+  <B value="-0.0027445" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="146.26" />
+  <Tmax units="K"  value="365.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45727" />
+  <B value="0.227" />
+  <C value="814.01" />
+  <D value="0.27155" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="814" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.61855" />
+  <B value="-10355.64" />
+  <C value="-5.423477" />
+  <D value="2.374318E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.989509E+07" />
+  <B value="-0.991558" />
+  <C value="3.414071" />
+  <D value="-4.448985" />
+  <E value="2.238465" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="790.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8551.8" />
+  <B value="908.56" />
+  <C value="-1.4311" />
+  <D value="0.0028756" />
+  <E value="-0.0000025075" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="365.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="211860" />
+  <B value="-5.3058" />
+  <C value="8.1208" />
+  <D value="0.009225" />
+  <E value="-0.0000034389" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31159" />
+  <B value="-362.24" />
+  <C value="-319.87" />
+  <D value="-785450" />
+  <E value="1509600" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.25652" />
+  <B value="2097.7" />
+  <C value="-2.0147" />
+  <D value="0.0000014987" />
+  <E value="2" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7633E-08" />
+  <B value="0.90246" />
+  <C value="116.57" />
+  <D value="-8469.6" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.029795" />
+  <B value="-134.57" />
+  <C value="-0.63203" />
+  <D value="-0.0021751" />
+  <E value="3.0388E-07" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014433" />
+  <B value="0.92815" />
+  <C value="684.42" />
+  <D value="24021" />
+  <Tmin units="K"  value="588" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02022" />
+  <B value="191.13" />
+  <C value="-3.4062" />
+  <D value="0.001628" />
+  <E value="-0.0000032376" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="790.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.061" />
+  <B value="7289.5" />
+  <C value="-7.1177" />
+  <Tmin units="K"  value="483.64" />
+  <Tmax units="K"  value="719.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8766" />
+  <B value="-0.012458" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.219819E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="297.6324" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0647636" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.370051" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.702302" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140577" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.702302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140577" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="618-85-9" />
+<Smiles name="SMILES"  value="c1(C)cc(N(=O)=O)cc(N(=O)=O)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2747" />
+<CompoundID name="Name"  value="2,4,6-trinitrotoluene" />
+<StructureFormula name="Structure"  value="(CH3)C6H2(NO2)3" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="795" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="573" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="355" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="354" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.936248" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="227.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154989" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.897249" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.914E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10235" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.217E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.64E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.844E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="460700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.2919E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6459" />
+  <B value="-0.0046892" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="352.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99663" />
+  <B value="0.34261" />
+  <C value="803.06" />
+  <D value="0.50647" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="803.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="245.81" />
+  <B value="-20425" />
+  <C value="-32.225" />
+  <D value="0.00001503" />
+  <E value="2" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="828" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.111008E+07" />
+  <B value="-12.33056" />
+  <C value="37.27643" />
+  <D value="-41.67226" />
+  <E value="16.622" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="778.11" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-337310" />
+  <B value="4588.5" />
+  <C value="-14.24" />
+  <D value="0.030526" />
+  <E value="-0.000030713" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="353.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188750" />
+  <B value="750.94" />
+  <C value="4.5661" />
+  <D value="0.019107" />
+  <E value="-0.00001348" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="625" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="209680" />
+  <B value="-1410.9" />
+  <C value="14.902" />
+  <D value="-0.0017672" />
+  <E value="4.5403E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37998" />
+  <B value="-379.85" />
+  <C value="-418.42" />
+  <D value="-567110" />
+  <E value="576970" />
+  <Tmin units="K"  value="414" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="92.002" />
+  <B value="-1238.6" />
+  <C value="-16.127" />
+  <D value="0.000013297" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="625" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1205E-08" />
+  <B value="0.89283" />
+  <C value="134.66" />
+  <D value="-13583" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10196" />
+  <B value="-488.31" />
+  <C value="0.35873" />
+  <D value="-0.0039133" />
+  <E value="0.0000039064" />
+  <Tmin units="K"  value="357.2" />
+  <Tmax units="K"  value="393.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015986" />
+  <B value="0.89621" />
+  <C value="647.63" />
+  <D value="36973" />
+  <Tmin units="K"  value="625" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015319" />
+  <B value="-305.07" />
+  <C value="-0.19869" />
+  <D value="-0.0050479" />
+  <E value="5.8446E-07" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="778.11" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="63628" />
+  <B value="610.44" />
+  <C value="-0.32626" />
+  <D value="0.000055813" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.91636" />
+  <B value="-10000" />
+  <C value="-66" />
+  <Tmin units="K"  value="274.7056" />
+  <Tmax units="K"  value="444.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.3" />
+  <B value="5815.6" />
+  <C value="-83.892" />
+  <Tmin units="K"  value="478.74" />
+  <Tmax units="K"  value="703.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.72019" />
+  <B value="-0.015685" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="625" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.571879" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.601759E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="368.565" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="136.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.070597" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.543387" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.897249" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154989" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5886" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.08" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.897249" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154989" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="1" />
+  <group id="58"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="1" />
+  <group id="47"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  <group id="34"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="1" />
+  <group id="58"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="1" />
+  <group id="57"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="118-96-7" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)c(C)c(N(=O)=O)cc(N(=O)=O)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1255" />
+<CompoundID name="Name"  value="Oxalic acid" />
+<StructureFormula name="Structure"  value="HOOCCOOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="804" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.205" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.215" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="569" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="462.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="462.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2152.34" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.0349" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0614585" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.917597" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.22E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="35980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03948" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.12E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.338E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.614E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.01E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.12" />
+  <B value="-0.0026428" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="85.15" />
+  <Tmax units="K"  value="462.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0501" />
+  <B value="0.215" />
+  <C value="804" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="804" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="216.92" />
+  <B value="-20979" />
+  <C value="-27.004" />
+  <D value="0.0000086326" />
+  <E value="2" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="804" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2079E+08" />
+  <B value="0.30321" />
+  <C value="0.62049" />
+  <D value="-0.9257" />
+  <E value="0.38682" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="786.03" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11394" />
+  <B value="847.14" />
+  <C value="-3.3297" />
+  <D value="0.0084208" />
+  <E value="-0.0000077485" />
+  <Tmin units="K"  value="40.35" />
+  <Tmax units="K"  value="323" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81965" />
+  <B value="-1.9623" />
+  <C value="9.0826" />
+  <D value="0.0038828" />
+  <E value="2.1663E-07" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="603" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="25231" />
+  <B value="-1473.6" />
+  <C value="15.259" />
+  <D value="-0.0058042" />
+  <E value="0.0000026122" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3016E-07" />
+  <B value="0.7814" />
+  <C value="154.56" />
+  <D value="-3949.8" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.088775" />
+  <B value="-213.56" />
+  <C value="0.1118" />
+  <D value="-0.0022725" />
+  <E value="3.5301E-07" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="643.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.084868" />
+  <B value="0.23486" />
+  <C value="15441" />
+  <D value="507600" />
+  <Tmin units="K"  value="569" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011612" />
+  <B value="847.01" />
+  <C value="-7.1508" />
+  <D value="0.0093795" />
+  <E value="-0.0000092018" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="786.03" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-17972" />
+  <B value="229.76" />
+  <C value="-0.24007" />
+  <D value="0.000093102" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.465" />
+  <B value="5198.7" />
+  <C value="-133.88" />
+  <Tmin units="K"  value="496.79" />
+  <Tmax units="K"  value="718.66" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.209305" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.959373E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="207.4664" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.215" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="60.86" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0276727" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.703223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.917597" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0614585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6026" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.448" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.917597" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="35980" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0614585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="144-62-7" />
+<Smiles name="SMILES"  value="C(=O)(O)C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1277" />
+<CompoundID name="Name"  value="Acrylic acid" />
+<StructureFormula name="Structure"  value="CH2CHCOOH" />
+<Family name="Family"  value="51" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="654.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5664070" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.210712" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="286.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="286.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="257.117" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.0627" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.068927" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.220736" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.978E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19230" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04015" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.371E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.861E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.117E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.28022E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.984" />
+  <B value="-4.7488E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.11535" />
+  <B value="0.078693" />
+  <C value="654.15" />
+  <D value="0.16945" />
+  <Tmin units="K"  value="285.15" />
+  <Tmax units="K"  value="597.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.86645" />
+  <B value="-7062.889" />
+  <C value="-4.564151" />
+  <D value="1.238643E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="276.65" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9258E+07" />
+  <B value="1.9796" />
+  <C value="2.7587" />
+  <D value="-12.283" />
+  <E value="8.2823" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="615" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4218.5" />
+  <B value="513.93" />
+  <C value="-0.95712" />
+  <D value="0.0023227" />
+  <E value="-0.0000024814" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="286.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142250" />
+  <B value="1837.1" />
+  <C value="-38.373" />
+  <D value="0.21763" />
+  <E value="-0.00027035" />
+  <Tmin units="K"  value="252.65" />
+  <Tmax units="K"  value="375" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49916" />
+  <B value="-589.6" />
+  <C value="12.259" />
+  <D value="-0.00013536" />
+  <E value="3.0855E-08" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-113.67" />
+  <B value="5526.6" />
+  <C value="15.75" />
+  <D value="-0.000015983" />
+  <E value="2" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4666E-07" />
+  <B value="0.69704" />
+  <C value="207.66" />
+  <D value="-6104.4" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.40695" />
+  <B value="33.472" />
+  <C value="-0.79449" />
+  <D value="0.00078306" />
+  <E value="-0.0000013868" />
+  <Tmin units="K"  value="184.5" />
+  <Tmax units="K"  value="484.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00092475" />
+  <B value="0.70367" />
+  <C value="626.1" />
+  <D value="112700" />
+  <Tmin units="K"  value="414.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00036116" />
+  <B value="2216" />
+  <C value="-21.799" />
+  <D value="0.051947" />
+  <E value="-0.000052793" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="615" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8237.7" />
+  <B value="284.59" />
+  <C value="-0.1807" />
+  <D value="0.00004331" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.386" />
+  <B value="3741" />
+  <C value="-69.977" />
+  <Tmin units="K"  value="393.15" />
+  <Tmax units="K"  value="582.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.8047" />
+  <B value="-0.010482" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.212878" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.477409E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="215.1844" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="69.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0296714" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.058208" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.220736" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.068927" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6467" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.538324" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.068927" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-10-7" />
+<Smiles name="SMILES"  value="C=CC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1278" />
+<CompoundID name="Name"  value="Methacrylic acid" />
+<StructureFormula name="Structure"  value="CH2C(CH3)COOH" />
+<Family name="Family"  value="51" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="643" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.27" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="433.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="288.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="288.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="58.5615" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0852843" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331817" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.412E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05036" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.68E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.88E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75969" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.93E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.003" />
+  <B value="-0.0057166" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.26" />
+  <Tmax units="K"  value="288.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.1083" />
+  <B value="0.37321" />
+  <C value="643" />
+  <D value="0.47743" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="9.843112" />
+  <B value="-6238.161" />
+  <C value="2.965581" />
+  <D value="-0.0000105952" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="662" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7009500" />
+  <B value="-12.334" />
+  <C value="36.335" />
+  <D value="-42.263" />
+  <E value="18.248" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6059" />
+  <B value="735.3" />
+  <C value="-1.363" />
+  <D value="0.0032903" />
+  <E value="-0.0000034953" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="288.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130480" />
+  <B value="265.42" />
+  <C value="3.971" />
+  <D value="0.026507" />
+  <E value="-0.000026858" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48894" />
+  <B value="-560.59" />
+  <C value="12.692" />
+  <D value="-0.00031458" />
+  <E value="1.4407E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.1" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.054722" />
+  <B value="968.88" />
+  <C value="-1.7788" />
+  <D value="0.0000031087" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4671E-08" />
+  <B value="0.81582" />
+  <C value="92.397" />
+  <D value="383.72" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.067603" />
+  <B value="29.398" />
+  <C value="-1.512" />
+  <D value="0.00016774" />
+  <E value="-0.0000015769" />
+  <Tmin units="K"  value="192.9" />
+  <Tmax units="K"  value="530" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000065218" />
+  <B value="1.0555" />
+  <C value="299.46" />
+  <D value="29315" />
+  <Tmin units="K"  value="434.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048338" />
+  <B value="515.9" />
+  <C value="-7.199" />
+  <D value="0.011548" />
+  <E value="-0.000015481" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15268" />
+  <B value="462.54" />
+  <C value="-0.34541" />
+  <D value="0.00010342" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.957" />
+  <B value="2984.3" />
+  <C value="-118.31" />
+  <Tmin units="K"  value="386.53" />
+  <Tmax units="K"  value="572.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4335" />
+  <B value="-0.010614" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.267781" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.553879E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.6541" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="89.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.6523" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0349816" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.021898" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331817" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0852843" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3197" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.06" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-6.7774" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331817" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0852843" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="8"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-41-4" />
+<Smiles name="SMILES"  value="C=C(C)C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1281" />
+<CompoundID name="Name"  value="Benzoic acid" />
+<StructureFormula name="Structure"  value="(C6H5)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="751" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4470000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.344" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="523.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="395.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="395.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="795.501" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="122.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112442" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.602794" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.059E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06558" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.902E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.142E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="369000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.807E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.41302" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0951E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.523" />
+  <B value="-0.0023742" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="395.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7147" />
+  <B value="0.24811" />
+  <C value="751" />
+  <D value="0.28445" />
+  <Tmin units="K"  value="394.65" />
+  <Tmax units="K"  value="751" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="444.4847" />
+  <B value="-30166.81" />
+  <C value="-61.25117" />
+  <D value="0.000029739" />
+  <E value="2" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="751" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.7437E+07" />
+  <B value="0.13946" />
+  <C value="-2.3071" />
+  <D value="5.0416" />
+  <E value="-2.5138" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="751" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1801.4" />
+  <B value="920.19" />
+  <C value="-4.2178" />
+  <D value="0.013624" />
+  <E value="-0.000014613" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="395.52" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78008" />
+  <B value="1056.8" />
+  <C value="2.5621" />
+  <D value="0.02421" />
+  <E value="-0.000017579" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71253" />
+  <B value="-905.31" />
+  <C value="13.682" />
+  <D value="-0.00087786" />
+  <E value="2.5351E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-204.19" />
+  <B value="11713" />
+  <C value="28.642" />
+  <D value="-0.000020228" />
+  <E value="2" />
+  <Tmin units="K"  value="395.52" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.426E-08" />
+  <B value="0.8289" />
+  <C value="91.171" />
+  <D value="5.6616" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.26694" />
+  <B value="24.352" />
+  <C value="-0.89204" />
+  <D value="0.00010336" />
+  <E value="-5.9141E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="596" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000021559" />
+  <B value="1.1593" />
+  <C value="126.16" />
+  <D value="64371" />
+  <Tmin units="K"  value="522.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018071" />
+  <B value="-333.25" />
+  <C value="-0.48157" />
+  <D value="-0.0043141" />
+  <E value="2.3966E-07" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="751" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22579" />
+  <B value="512.65" />
+  <C value="-0.28424" />
+  <D value="0.000055985" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.577" />
+  <B value="4593.4" />
+  <C value="-107.46" />
+  <Tmin units="K"  value="451.59" />
+  <Tmax units="K"  value="657.43" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0682" />
+  <B value="-0.011311" />
+  <Tmin units="K"  value="395.52" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.351828" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.035727E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.7165" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.246" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="119.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0475472" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.185846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.602794" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.112442" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.323" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.344" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.602794" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24590" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.112442" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="65-85-0" />
+<Smiles name="SMILES"  value="c1ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1282" />
+<CompoundID name="Name"  value="O-toluic acid" />
+<StructureFormula name="Structure"  value="CH3(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="751" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.397" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="532" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="376.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="376.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="237.832" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126888" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.657237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.387E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.22796E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.13346E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="406141" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.01774E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.69902E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4748" />
+  <B value="4.5776E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="386.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61816" />
+  <B value="0.24687" />
+  <C value="751" />
+  <D value="0.2856" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.1988" />
+  <B value="-13740.37" />
+  <C value="-15.5105" />
+  <D value="5.245068E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="370" />
+  <Tmax units="K"  value="751" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9956E+07" />
+  <B value="0.80217" />
+  <C value="-0.93427" />
+  <D value="0.8805" />
+  <E value="-0.3406" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30.552" />
+  <B value="2311.3" />
+  <C value="-11.456" />
+  <D value="0.025236" />
+  <E value="-0.000020846" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129490" />
+  <B value="18.011" />
+  <C value="10.105" />
+  <D value="0.0057419" />
+  <E value="-0.000003975" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="532.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85949" />
+  <B value="-929.05" />
+  <C value="14.065" />
+  <D value="-0.0013145" />
+  <E value="5.0858E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7015" />
+  <B value="1473.1" />
+  <C value="-0.25079" />
+  <D value="0.0000003109" />
+  <E value="2" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2379E-07" />
+  <B value="0.7551" />
+  <C value="177.89" />
+  <D value="-5611.1" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13162" />
+  <B value="29.195" />
+  <C value="-1.2663" />
+  <D value="0.000070644" />
+  <E value="-8.4448E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="595.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000027427" />
+  <B value="1.1315" />
+  <C value="204.73" />
+  <D value="55122" />
+  <Tmin units="K"  value="532" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.088963" />
+  <B value="33.057" />
+  <C value="-2.0549" />
+  <D value="-0.00011701" />
+  <E value="-5.6887E-07" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36255" />
+  <B value="643.38" />
+  <C value="-0.35936" />
+  <D value="0.000063647" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.059" />
+  <B value="4456.2" />
+  <C value="-109.65" />
+  <Tmin units="K"  value="455.62" />
+  <Tmax units="K"  value="674" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9168" />
+  <B value="-0.0065457" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.415667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.416104E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.1352" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="139.6" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563975" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.153456" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.657237" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126888" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.657237" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22920" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126888" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="118-90-1" />
+<Smiles name="SMILES"  value="c1(C)ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1283" />
+<CompoundID name="Name"  value="P-toluic acid" />
+<StructureFormula name="Structure"  value="CH3(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="773" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.397" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="548.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="452.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="452.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5208.62" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.129817" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.661017" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.35E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22040" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.22796E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.13346E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="406141" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.2737E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.69222E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1884" />
+  <B value="-1.9667E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60059" />
+  <B value="0.238" />
+  <C value="773" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="773" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="180.79" />
+  <B value="-16901" />
+  <C value="-22.327" />
+  <D value="0.0000079041" />
+  <E value="2" />
+  <Tmin units="K"  value="450" />
+  <Tmax units="K"  value="773" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0299E+08" />
+  <B value="0.94653" />
+  <C value="-1.474" />
+  <D value="1.5504" />
+  <E value="-0.62044" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="756.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29.528" />
+  <B value="2233.9" />
+  <C value="-11.072" />
+  <D value="0.024391" />
+  <E value="-0.000020147" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="204240" />
+  <B value="558.58" />
+  <C value="5.081" />
+  <D value="0.015699" />
+  <E value="-0.000010465" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="548.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85949" />
+  <B value="-929.05" />
+  <C value="14.065" />
+  <D value="-0.0013145" />
+  <E value="5.0858E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.393" />
+  <B value="2717.5" />
+  <C value="0.51437" />
+  <D value="-3.3608E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0828E-08" />
+  <B value="0.81038" />
+  <C value="114.97" />
+  <D value="-489.3" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14095" />
+  <B value="29.118" />
+  <C value="-1.2124" />
+  <D value="0.000049104" />
+  <E value="-7.6374E-07" />
+  <Tmin units="K"  value="231.9" />
+  <Tmax units="K"  value="611.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002977" />
+  <B value="1.1214" />
+  <C value="206.56" />
+  <D value="62002" />
+  <Tmin units="K"  value="548.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093429" />
+  <B value="992.57" />
+  <C value="-8.4763" />
+  <D value="0.011892" />
+  <E value="-0.000011231" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="756.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36255" />
+  <B value="643.38" />
+  <C value="-0.35936" />
+  <D value="0.000063647" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.085" />
+  <B value="4607.3" />
+  <C value="-112.28" />
+  <Tmin units="K"  value="469.61" />
+  <Tmax units="K"  value="688.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0746" />
+  <B value="-0.0094981" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.415667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.678613E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.5873" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="139.6" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0546655" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.207575" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.661017" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.129817" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.661017" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.129817" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-94-5" />
+<Smiles name="SMILES"  value="c1cc(C)ccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1284" />
+<CompoundID name="Name"  value="Salicylic acid" />
+<StructureFormula name="Structure"  value="HO(C6H4)COOH" />
+<Family name="Family"  value="43" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="739" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.364" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="529" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="431.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="431.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2802.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.119591" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.851182" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.251E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0711" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.12E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.948E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.954E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="399800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.959E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8901E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.991" />
+  <B value="-0.0020281" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="431.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8432" />
+  <B value="0.27522" />
+  <C value="739" />
+  <D value="0.28574" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="722.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="252.5417" />
+  <B value="-21148.9" />
+  <C value="-32.63925" />
+  <D value="0.0000130693" />
+  <E value="2" />
+  <Tmin units="K"  value="429.95" />
+  <Tmax units="K"  value="739" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3325E+08" />
+  <B value="-0.11849" />
+  <C value="3.6062" />
+  <D value="-5.1635" />
+  <E value="2.13" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="722.83" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="47862" />
+  <B value="1.3021" />
+  <C value="2.8451" />
+  <D value="-0.0074793" />
+  <E value="0.0000077542" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129500" />
+  <B value="160.82" />
+  <C value="8.5105" />
+  <D value="0.0092921" />
+  <E value="-0.0000057493" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="551.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83388" />
+  <B value="-879.57" />
+  <C value="13.917" />
+  <D value="-0.0013499" />
+  <E value="0.0000005122" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-50.743" />
+  <B value="5203.6" />
+  <C value="5.2837" />
+  <D value="2.047E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="591.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0029E-07" />
+  <B value="0.78423" />
+  <C value="131.87" />
+  <D value="-154.53" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0043799" />
+  <B value="-391.31" />
+  <C value="0.63544" />
+  <D value="-0.0048323" />
+  <E value="0.0000010995" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="529" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028337" />
+  <B value="1.1043" />
+  <C value="106.43" />
+  <D value="67783" />
+  <Tmin units="K"  value="529" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025399" />
+  <B value="35.561" />
+  <C value="-2.635" />
+  <D value="0.00026914" />
+  <E value="-0.0000023783" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="722.83" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33229" />
+  <B value="646.66" />
+  <C value="-0.44103" />
+  <D value="0.00010904" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.591" />
+  <B value="4389.8" />
+  <C value="-131.93" />
+  <Tmin units="K"  value="445.35" />
+  <Tmax units="K"  value="662.19" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3875" />
+  <B value="-0.010056" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="591.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.38316" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.272098E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="462.5464" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="125.19" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500667" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.298112" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.851182" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119591" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6869" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.624" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.851182" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.119591" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="18"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="18"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="16"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="18"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="17"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="69-72-7" />
+<Smiles name="SMILES"  value="c1(O)ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1285" />
+<CompoundID name="Name"  value="Adipic acid" />
+<StructureFormula name="Structure"  value="HOOC(CH2)4COOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="809" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.21" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="611" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="426.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="425.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="78.0827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="146.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.133942" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.05065" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.976E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25370" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.15E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.65E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.82E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="482000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.67E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.58E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.2095" />
+  <B value="0.000041964" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="285.65" />
+  <Tmax units="K"  value="425.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.64797" />
+  <B value="0.25918" />
+  <C value="809" />
+  <D value="0.28198" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="255.2237" />
+  <B value="-23233.92" />
+  <C value="-32.83085" />
+  <D value="0.000013435" />
+  <E value="2" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.949255E+08" />
+  <B value="0.823008" />
+  <C value="2.518159" />
+  <D value="-5.646327" />
+  <E value="2.784565" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="40.553" />
+  <B value="3069.4" />
+  <C value="-15.206" />
+  <D value="0.033481" />
+  <E value="-0.000027642" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="235940" />
+  <B value="-32.997" />
+  <C value="10.809" />
+  <D value="0.0032672" />
+  <E value="-0.0000019456" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="611" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85474" />
+  <B value="-423.41" />
+  <C value="12.745" />
+  <D value="0.00026178" />
+  <E value="-1.1462E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4738" />
+  <B value="3093.2" />
+  <C value="-0.68319" />
+  <D value="4.5668E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="466.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6397E-08" />
+  <B value="0.79699" />
+  <C value="129.04" />
+  <D value="-83.45" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15138" />
+  <B value="31.723" />
+  <C value="-1.1417" />
+  <D value="0.000072402" />
+  <E value="-7.2467E-07" />
+  <Tmin units="K"  value="242.7" />
+  <Tmax units="K"  value="642.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00019846" />
+  <B value="0.87712" />
+  <C value="520.45" />
+  <D value="62013" />
+  <Tmin units="K"  value="611" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018266" />
+  <B value="123.31" />
+  <C value="-3.4148" />
+  <D value="0.00050163" />
+  <E value="-0.0000017596" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18304" />
+  <B value="636.31" />
+  <C value="-0.40132" />
+  <D value="0.0000928" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.687" />
+  <B value="5175.2" />
+  <C value="-145.76" />
+  <Tmin units="K"  value="486.05" />
+  <Tmax units="K"  value="708.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.714" />
+  <B value="-0.016424" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="466.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.945443E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="191.8011" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.21" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="142.94" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0512838" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.204857" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.05065" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133942" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3002" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.608" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.05065" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25370" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133942" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-04-9" />
+<Smiles name="SMILES"  value="OC(=O)CCCCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1287" />
+<CompoundID name="Name"  value="Phthalic acid" />
+<StructureFormula name="Structure"  value="COOH(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="943.0648" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4492234" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4235" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242627" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="651.424" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="483.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115821" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.16031" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.162787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29038.44" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0828" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.072E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.63E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.42E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0915E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.5506" />
+  <B value="0.0031229" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59385" />
+  <B value="0.252" />
+  <C value="800" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="214.6186" />
+  <B value="-21678.73" />
+  <C value="-26.54136" />
+  <D value="7.94063E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.16446E+08" />
+  <B value="0.325842" />
+  <C value="-0.000233021" />
+  <D value="0.00216992" />
+  <E value="0.484323" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="22693" />
+  <B value="550.36" />
+  <C value="-0.074278" />
+  <D value="0.00058694" />
+  <E value="-9.7751E-07" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126080" />
+  <B value="73.955" />
+  <C value="9.4222" />
+  <D value="0.0070682" />
+  <E value="-0.0000039598" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78972" />
+  <B value="-814.12" />
+  <C value="13.621" />
+  <D value="-0.00057909" />
+  <E value="1.2469E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.315" />
+  <B value="4089.4" />
+  <C value="0.87699" />
+  <D value="-5.3713E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1978E-08" />
+  <B value="0.86126" />
+  <C value="68.544" />
+  <D value="-136.86" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13007" />
+  <B value="40.261" />
+  <C value="-1.3314" />
+  <D value="0.00027982" />
+  <E value="-9.4309E-07" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="640" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011576" />
+  <B value="0.91053" />
+  <C value="351.24" />
+  <D value="130660" />
+  <Tmin units="K"  value="598" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035541" />
+  <B value="-4.5485" />
+  <C value="-2.2151" />
+  <D value="-0.00053178" />
+  <E value="-1.9436E-07" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-52622.52" />
+  <B value="719.7759" />
+  <C value="-0.465185" />
+  <D value="0.000108418" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.903144" />
+  <B value="-3000" />
+  <C value="-18" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0493" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.451" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.288" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="88-99-3" />
+<Smiles name="SMILES"  value="c1(C(=O)O)c(C(=O)O)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1286" />
+<CompoundID name="Name"  value="Maleic acid" />
+<StructureFormula name="Structure"  value="HOOCCHCHCOOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="773" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4990000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.297" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.231" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="403.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="403.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="98.6734" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.072" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.090835" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.997587" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.221E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="30550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.06E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05642" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.794E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.96E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="416000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.47E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.2684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.698" />
+  <B value="-1.103E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77641" />
+  <B value="0.231" />
+  <C value="773" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="187.4602" />
+  <B value="-19104.39" />
+  <C value="-22.78106" />
+  <D value="6.967225E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.16446E+08" />
+  <B value="0.325842" />
+  <C value="-0.000233021" />
+  <D value="0.00216992" />
+  <E value="0.484323" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21794" />
+  <B value="494.53" />
+  <C value="-0.98012" />
+  <D value="0.002955" />
+  <E value="-0.00000306" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="148240" />
+  <B value="706.52" />
+  <C value="4.046" />
+  <D value="0.018422" />
+  <E value="-0.000011933" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="579.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60872" />
+  <B value="-493.34" />
+  <C value="12.58" />
+  <D value="-0.00028606" />
+  <E value="0.0000001493" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.993" />
+  <B value="2508.3" />
+  <C value="0.079857" />
+  <D value="-1.8766E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="565" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0189E-08" />
+  <B value="0.80995" />
+  <C value="111.91" />
+  <D value="-70.22" />
+  <Tmin units="K"  value="403" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061944" />
+  <B value="-160.86" />
+  <C value="-0.25643" />
+  <D value="-0.0021458" />
+  <E value="2.3954E-07" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="612" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000021963" />
+  <B value="1.4191" />
+  <C value="-285.03" />
+  <D value="84199" />
+  <Tmin units="K"  value="469" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010076" />
+  <B value="568.91" />
+  <C value="-6.0243" />
+  <D value="0.0070715" />
+  <E value="-0.0000080291" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="773" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13513" />
+  <B value="415.8" />
+  <C value="-0.29766" />
+  <D value="0.000084426" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.374" />
+  <B value="5133" />
+  <C value="-132.2" />
+  <Tmin units="K"  value="477.36" />
+  <Tmax units="K"  value="695.27" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.0564" />
+  <B value="-0.010763" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="565" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.300877" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.224859E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.283" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.231" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.28" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0397792" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.407506" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.997587" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.090835" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7193" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.315" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.997587" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="30550" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.090835" />
+<UnifacVLE name="UNIFAC" >
+  <group id="43"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="23"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="6"  value="1" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="43"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="42"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-16-7" />
+<Smiles name="SMILES"  value="C(=O)(O)/C=C\C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1289" />
+<CompoundID name="Name"  value="Terephthalic acid" />
+<StructureFormula name="Structure"  value="1,4-COOH(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="943.0648" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4492234" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4235" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242627" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="665.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="573.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115821" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.16031" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.162787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29038.44" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0828" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.062E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.179E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.99E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0576E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.0891" />
+  <B value="-4.8319E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42685" />
+  <B value="0.181" />
+  <C value="1113" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1113" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="215.8574" />
+  <B value="-29586.64" />
+  <C value="-25.50026" />
+  <D value="3.863371E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1113" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.9802E+07" />
+  <B value="0.189" />
+  <C value="-0.50305" />
+  <D value="-1.1074" />
+  <E value="4.311" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6542500" />
+  <B value="74970" />
+  <C value="-317.47" />
+  <D value="0.6016" />
+  <E value="-0.0004268" />
+  <Tmin units="K"  value="318" />
+  <Tmax units="K"  value="398" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83070" />
+  <B value="-852.74" />
+  <C value="13.689" />
+  <D value="-0.000643" />
+  <E value="1.4167E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4248E-08" />
+  <B value="0.96894" />
+  <C value="40.456" />
+  <D value="-14256" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016184" />
+  <B value="0.88608" />
+  <C value="624.29" />
+  <D value="90960" />
+  <Tmin units="K"  value="832" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-47902" />
+  <B value="696.58" />
+  <C value="-0.43325" />
+  <D value="0.000095385" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.733" />
+  <B value="9708.2" />
+  <C value="-96.745" />
+  <Tmin units="K"  value="844.65" />
+  <Tmax units="K"  value="1113" />
+  </AntoineVaporPressure>
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.049" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.51" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.288" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-21-0" />
+<Smiles name="SMILES"  value="c1(C(=O)O)ccc(C(=O)O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1291" />
+<CompoundID name="Name"  value="Acetic anhydride" />
+<StructureFormula name="Structure"  value="CH3COOOCCH3" />
+<Family name="Family"  value="54" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="569.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4280000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.29" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="413.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="200.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0219995" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.089" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0949602" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.809524" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.579E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0544" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.735E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.767E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="389900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.05E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.65" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.675E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.778" />
+  <B value="-0.0082423" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.06" />
+  <Tmax units="K"  value="200.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3543" />
+  <B value="0.3062" />
+  <C value="584.65" />
+  <D value="0.43334" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="584.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.79499" />
+  <B value="-8627.117" />
+  <C value="-10.49847" />
+  <D value="0.0000051448" />
+  <E value="2" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="606" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.787557E+07" />
+  <B value="-0.639261" />
+  <C value="1.651354" />
+  <D value="-0.778133" />
+  <E value="-0.0411955" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="563.28" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-76055" />
+  <B value="674.26" />
+  <C value="4.7415" />
+  <D value="0.026829" />
+  <E value="-0.000028167" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63862" />
+  <B value="-716.36" />
+  <C value="13.016" />
+  <D value="-0.00041944" />
+  <E value="1.1702E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21833" />
+  <B value="-249.69" />
+  <C value="-53.999" />
+  <D value="-19108" />
+  <E value="27047" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.196" />
+  <B value="1321.3" />
+  <C value="0.29135" />
+  <D value="3.1938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3132E-07" />
+  <B value="0.7781" />
+  <C value="96.036" />
+  <D value="3593.8" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0017236" />
+  <B value="-11.978" />
+  <C value="-1.3413" />
+  <D value="-0.0012823" />
+  <E value="-6.1388E-07" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003967" />
+  <B value="0.81349" />
+  <C value="426.6" />
+  <D value="140300" />
+  <Tmin units="K"  value="412.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0012765" />
+  <B value="252.13" />
+  <C value="-6.1499" />
+  <D value="0.014601" />
+  <E value="-0.000027747" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="563.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-5437.1" />
+  <B value="428.12" />
+  <C value="-0.25005" />
+  <D value="0.000054067" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.597" />
+  <B value="3463.7" />
+  <C value="-68.344" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="510" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3258" />
+  <B value="-0.012352" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.289796" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.205059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.2234" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0382651" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.08656" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.453" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0949602" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.586025" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.224" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.453" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0949602" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="18"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="108-24-7" />
+<Smiles name="SMILES"  value="CC(=O)OC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1298" />
+<CompoundID name="Name"  value="Maleic anhydride" />
+<StructureFormula name="Structure"  value="-CHCOOCOCH-" />
+<Family name="Family"  value="54" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="721" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7280000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="473.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.927" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="325.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="289.837" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.0569" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0741215" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.54629" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.312E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04404" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.96E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.167E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.55E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="317000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.15E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.06669" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.38E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.277" />
+  <B value="-6.3556E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1934" />
+  <B value="0.26153" />
+  <C value="721" />
+  <D value="0.35499" />
+  <Tmin units="K"  value="325.65" />
+  <Tmax units="K"  value="721" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="181.7423" />
+  <B value="-13070.32" />
+  <C value="-23.83155" />
+  <D value="0.0000182982" />
+  <E value="2" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="721" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7421E+07" />
+  <B value="0.064434" />
+  <C value="0.35394" />
+  <D value="-0.39596" />
+  <E value="0.19018" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="721" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29806" />
+  <B value="250.42" />
+  <C value="0.11616" />
+  <D value="-0.000014644" />
+  <E value="6.1402E-07" />
+  <Tmin units="K"  value="88.51" />
+  <Tmax units="K"  value="320.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="7374.3" />
+  <B value="412.68" />
+  <C value="8.4647" />
+  <D value="0.0086559" />
+  <E value="-0.0000060424" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="540.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-39596" />
+  <B value="-169.57" />
+  <C value="12.496" />
+  <D value="6.0181E-08" />
+  <E value="4.1214E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1425" />
+  <B value="-178.8" />
+  <C value="-68.898" />
+  <D value="-34417" />
+  <E value="12399" />
+  <Tmin units="K"  value="360.5" />
+  <Tmax units="K"  value="1980.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="93.459" />
+  <B value="-2744.1" />
+  <C value="-16.078" />
+  <D value="0.000015825" />
+  <E value="2" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5282E-08" />
+  <B value="0.87275" />
+  <C value="168.46" />
+  <D value="-10784" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0050361" />
+  <B value="-137.05" />
+  <C value="-0.46443" />
+  <D value="-0.0029116" />
+  <E value="3.9472E-07" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00030053" />
+  <B value="0.85542" />
+  <C value="634.55" />
+  <D value="21624" />
+  <Tmin units="K"  value="473.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010279" />
+  <B value="305" />
+  <C value="-4.7222" />
+  <D value="0.0047657" />
+  <E value="-0.0000071881" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="721" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7976.2" />
+  <B value="560.7" />
+  <C value="-0.59917" />
+  <D value="0.00024312" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.509298" />
+  <B value="-10000" />
+  <C value="-153" />
+  <Tmin units="K"  value="314.15" />
+  <Tmax units="K"  value="484.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="25.037" />
+  <B value="7200.5" />
+  <C value="56.284" />
+  <Tmin units="K"  value="434" />
+  <Tmax units="K"  value="637.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9417" />
+  <B value="-0.010534" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.233687" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.510636E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="400.3339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337942" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.32293" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54629" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0741215" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.903098" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.384" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.54629" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25870" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0741215" />
+<Asog name="ASOG" >
+  <group id="6"  value="1" />
+  <group id="18"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="108-31-6" />
+<Smiles name="SMILES"  value="O1C(=O)C=CC1(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1100" />
+<CompoundID name="Name"  value="Ketene" />
+<StructureFormula name="Structure"  value="CH2CO" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="370" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.144" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="217.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="122.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="122" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.19493" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="42.0367" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06374" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.125656" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.605E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02571" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.02733E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.11E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.02914E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="241800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.67759E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.127" />
+  <B value="-0.025457" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="48.8" />
+  <Tmax units="K"  value="122" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8886" />
+  <B value="0.272" />
+  <C value="370" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="370" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.628" />
+  <B value="-3467" />
+  <C value="-5.9337" />
+  <D value="0.000010248" />
+  <E value="2" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="370" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6158E+07" />
+  <B value="4.5264" />
+  <C value="-12.408" />
+  <D value="14.257" />
+  <E value="-5.881" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="356.95" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41971" />
+  <B value="267.01" />
+  <C value="4.7755" />
+  <D value="0.029953" />
+  <E value="-0.000037749" />
+  <Tmin units="K"  value="162.53" />
+  <Tmax units="K"  value="277.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33110" />
+  <B value="-414.32" />
+  <C value="10.968" />
+  <D value="0.00041237" />
+  <E value="-1.3222E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.084441" />
+  <B value="-73.911" />
+  <C value="-3.4543" />
+  <D value="-184.05" />
+  <E value="165.87" />
+  <Tmin units="K"  value="185" />
+  <Tmax units="K"  value="1845" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.659" />
+  <B value="731.69" />
+  <C value="1.5497" />
+  <D value="-0.000011288" />
+  <E value="2" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001285" />
+  <B value="0.50552" />
+  <C value="367.45" />
+  <D value="-2188.3" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.007072" />
+  <B value="-11.763" />
+  <C value="-0.74777" />
+  <D value="-0.0024777" />
+  <E value="-0.0000018714" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028519" />
+  <B value="1.1477" />
+  <C value="-97.436" />
+  <D value="37387" />
+  <Tmin units="K"  value="223.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092911" />
+  <B value="36.086" />
+  <C value="-3.4694" />
+  <D value="0.0016382" />
+  <E value="-0.000014409" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="356.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21695" />
+  <B value="109.1" />
+  <C value="-0.059305" />
+  <D value="0.000012442" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.165" />
+  <B value="1969.1" />
+  <C value="-19.227" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="330.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0718" />
+  <B value="-0.020835" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.136385" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="222.6194" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0190563" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.678908" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.125656" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.06374" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.694792" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.610932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.125656" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13820" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.06374" />
+<CAS name="CAS number"  value="463-51-4" />
+<Smiles name="SMILES"  value="C=C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1351" />
+<CompoundID name="Name"  value="Methyl methacrylate" />
+<StructureFormula name="Structure"  value="CH2C(CH3)COOCH3" />
+<Family name="Family"  value="59" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.324" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="225.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="225.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="19.0855" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.116" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.106736" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.280233" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.62E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05949" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.91E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.6E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.54E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44348E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.27622" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.54E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.912" />
+  <B value="-0.0063843" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.98" />
+  <Tmax units="K"  value="224.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.91648" />
+  <B value="0.27205" />
+  <C value="563.15" />
+  <D value="0.3201" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="129.5007" />
+  <B value="-8907.818" />
+  <C value="-16.17497" />
+  <D value="0.000012098" />
+  <E value="2" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="566" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.397285E+07" />
+  <B value="-0.0862845" />
+  <C value="1.857786" />
+  <D value="-2.127696" />
+  <E value="0.775243" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22371" />
+  <B value="1615.2" />
+  <C value="-7.3896" />
+  <D value="0.0056281" />
+  <E value="0.000054354" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="210" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45251" />
+  <B value="733.56" />
+  <C value="4.0201" />
+  <D value="0.024183" />
+  <E value="-0.000020347" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="373.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40862.92" />
+  <B value="-408.0793" />
+  <C value="12.53452" />
+  <D value="0.000265188" />
+  <E value="-1.105927E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20274" />
+  <B value="-240.84" />
+  <C value="-40.536" />
+  <D value="6484.6" />
+  <E value="-27053" />
+  <Tmin units="K"  value="282" />
+  <Tmax units="K"  value="1800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2342" />
+  <B value="780.75" />
+  <C value="-0.30393" />
+  <D value="-0.0000019127" />
+  <E value="2" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0508E-07" />
+  <B value="0.64362" />
+  <C value="435.99" />
+  <D value="-25064" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.093744" />
+  <B value="-51.297" />
+  <C value="-0.18289" />
+  <D value="-0.0078351" />
+  <E value="-0.0000030405" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0023506" />
+  <B value="0.61168" />
+  <C value="848.43" />
+  <D value="252520" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035425" />
+  <B value="-58.877" />
+  <C value="-1.5763" />
+  <D value="-0.0037063" />
+  <E value="0.0000012939" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-10357" />
+  <B value="514.6" />
+  <C value="-0.32166" />
+  <D value="0.000073928" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.565" />
+  <B value="2703.4" />
+  <C value="-74.211" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="494.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6879" />
+  <B value="-0.0094364" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31782" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.668304E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.0785" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="110.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0432757" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94966" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.280233" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106736" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280233" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106736" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="8"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="80-62-6" />
+<Smiles name="SMILES"  value="C=C(C)C(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1381" />
+<CompoundID name="Name"  value="Dimethyl terephthalate" />
+<StructureFormula name="Structure"  value="C6H4(COOCH3)2" />
+<Family name="Family"  value="60" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="772" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2780000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="555.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="413.8" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="413.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1257.73" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="194.184" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.180564" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.637086" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.394E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10106" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.324E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.37E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.74E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="550000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.09E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.43085" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.4115E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4567" />
+  <B value="-1.8182E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50864" />
+  <B value="0.26895" />
+  <C value="772" />
+  <D value="0.26133" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.35202" />
+  <B value="-11061.82" />
+  <C value="-8.88269" />
+  <D value="1.566691E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="772" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.927268E+07" />
+  <B value="-0.826644" />
+  <C value="0.840569" />
+  <D value="0.547723" />
+  <E value="-0.373819" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-784670" />
+  <B value="8890.9" />
+  <C value="-28.57" />
+  <D value="0.040933" />
+  <E value="-0.000019452" />
+  <Tmin units="K"  value="317.35" />
+  <Tmax units="K"  value="403.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="306140" />
+  <B value="1151.8" />
+  <C value="1.8179" />
+  <D value="0.019226" />
+  <E value="-0.0000087371" />
+  <Tmin units="K"  value="423.15" />
+  <Tmax units="K"  value="466.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95546" />
+  <B value="-944.26" />
+  <C value="15.059" />
+  <D value="-0.0027373" />
+  <E value="0.0000012901" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40094" />
+  <B value="-498.08" />
+  <C value="-263.19" />
+  <D value="-218660" />
+  <E value="171700" />
+  <Tmin units="K"  value="386" />
+  <Tmax units="K"  value="1774" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.6027" />
+  <B value="1845.8" />
+  <C value="-0.28991" />
+  <D value="2.7867E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5497E-10" />
+  <B value="1.62" />
+  <C value="-527.6" />
+  <D value="101960" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="1550" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.015206" />
+  <B value="-275.63" />
+  <C value="0.058569" />
+  <D value="-0.0035078" />
+  <E value="7.3745E-07" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-21938" />
+  <B value="0.32202" />
+  <C value="-4.3275E+09" />
+  <D value="-1.5265E+11" />
+  <Tmin units="K"  value="561.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.058913" />
+  <B value="-26.714" />
+  <C value="-1.9282" />
+  <D value="-0.0011887" />
+  <E value="8.1672E-08" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-135990" />
+  <B value="1367.3" />
+  <C value="-1.3275" />
+  <D value="0.00050832" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.619" />
+  <B value="6772" />
+  <C value="-1.4218" />
+  <Tmin units="K"  value="470.36" />
+  <Tmax units="K"  value="677.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4624" />
+  <B value="-0.008305" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563654" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.849681E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.999" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="169.94" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0718832" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.174947" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.637086" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.180564" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6618" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.637086" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.180564" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="25"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="21"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="120-61-6" />
+<Smiles name="SMILES"  value="c1c(C(=O)OC)ccc(C(=O)OC)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1442" />
+<CompoundID name="Name"  value="1,2-propylene oxide" />
+<StructureFormula name="Structure"  value="CH3-CHCH2O-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="482.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.186" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.228" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.965624" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.0791" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0705481" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.268304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0344" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.64E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.372E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.58E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="286700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6531000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95094" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.79E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.358" />
+  <B value="-0.014706" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.49" />
+  <Tmax units="K"  value="161.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5769" />
+  <B value="0.28598" />
+  <C value="482.25" />
+  <D value="0.29139" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.693" />
+  <B value="-5715.8" />
+  <C value="-9.522" />
+  <D value="0.00001033" />
+  <E value="2" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.241305E+07" />
+  <B value="1.339985" />
+  <C value="-1.496096" />
+  <D value="0.72766" />
+  <E value="-0.151947" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22780" />
+  <B value="1901.9" />
+  <C value="-20.601" />
+  <D value="0.11819" />
+  <E value="-0.00025907" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="161.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78704" />
+  <B value="274.26" />
+  <C value="7.2963" />
+  <D value="0.0088641" />
+  <E value="-0.0000023407" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42195" />
+  <B value="-578.73" />
+  <C value="12.252" />
+  <D value="0.00010777" />
+  <E value="-4.7082E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.068785" />
+  <B value="-9.8409" />
+  <C value="-37.616" />
+  <D value="14983" />
+  <E value="-36794" />
+  <Tmin units="K"  value="241.12" />
+  <Tmax units="K"  value="1543.13" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.905" />
+  <B value="283.5" />
+  <C value="-5.5156" />
+  <D value="0.000016261" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1059E-07" />
+  <B value="0.81831" />
+  <C value="109.91" />
+  <D value="-5863.4" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10066" />
+  <B value="294.75" />
+  <C value="-5.9561" />
+  <D value="0.019433" />
+  <E value="-0.000039547" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="385.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022671" />
+  <B value="0.95467" />
+  <C value="579.31" />
+  <D value="32798" />
+  <Tmin units="K"  value="307.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015763" />
+  <B value="49.046" />
+  <C value="-3.1007" />
+  <D value="0.001104" />
+  <E value="-0.0000073634" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8474.7" />
+  <B value="248.13" />
+  <C value="-0.09863" />
+  <D value="0.0000096523" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.382" />
+  <B value="2709.9" />
+  <C value="-32.425" />
+  <Tmin units="K"  value="290.2" />
+  <Tmax units="K"  value="433.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8854" />
+  <B value="-0.017723" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.182307" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.279053E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="153.7272" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.228" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.02" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0273464" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.836764" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.268304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0705481" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.2663" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.856" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.24763" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.268304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0705481" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-56-9" />
+<Smiles name="SMILES"  value="CC1OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1472" />
+<CompoundID name="Name"  value="Cumene hydroperoxide" />
+<StructureFormula name="Structure"  value="(C6H5)C(CH3)2OOH" />
+<Family name="Family"  value="64" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.463" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="264.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="264.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00236574" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="152.19" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145892" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.995" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.532E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.95412E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.162E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.84E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="455000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8444E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9801" />
+  <B value="-0.0037758" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="105.7" />
+  <Tmax units="K"  value="264.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.6643" />
+  <B value="0.27801" />
+  <C value="605" />
+  <D value="0.28637" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="605" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.523" />
+  <B value="-16668.56" />
+  <C value="-17.98221" />
+  <D value="0.0000113017" />
+  <E value="2" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="494.28" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.2836E+07" />
+  <B value="0.18056" />
+  <C value="-0.22381" />
+  <D value="-0.21673" />
+  <E value="0.35898" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7404" />
+  <B value="942.63" />
+  <C value="-1.8511" />
+  <D value="0.0047682" />
+  <E value="-0.0000054326" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="264.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83403" />
+  <B value="-35.074" />
+  <C value="9.3262" />
+  <D value="0.010979" />
+  <E value="-0.00001071" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70090" />
+  <B value="-408.89" />
+  <C value="12.927" />
+  <D value="0.00036839" />
+  <E value="-1.5886E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9678E-07" />
+  <B value="0.71936" />
+  <C value="203.36" />
+  <D value="-7639" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.022189" />
+  <B value="-77.144" />
+  <C value="-1.2225" />
+  <D value="-0.0023354" />
+  <E value="4.0588E-08" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018194" />
+  <B value="0.94296" />
+  <C value="592.69" />
+  <D value="22533" />
+  <Tmin units="K"  value="442.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.045171" />
+  <B value="4.6642" />
+  <C value="-2.3249" />
+  <D value="-0.0010841" />
+  <E value="-3.4989E-07" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20463" />
+  <B value="844.33" />
+  <C value="-0.56023" />
+  <D value="0.00014275" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="33.2" />
+  <B value="8625.8" />
+  <C value="-44.733" />
+  <Tmin units="K"  value="367.57" />
+  <Tmax units="K"  value="494.28" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.484118" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.707874E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.7584" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.278" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577525" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.053372" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.995" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145892" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.817402" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.648" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.995" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145892" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="15"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="80-15-9" />
+<Smiles name="SMILES"  value="c1ccccc1(C(C)(C)OO)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1773" />
+<CompoundID name="Name"  value="Propionitrile" />
+<StructureFormula name="Structure"  value="CH3CH2CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="564.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.204" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.169356" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="55.0785" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0708565" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.324267" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.652E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.34E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0386" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.66E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.15E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.74949E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="286600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5029170" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2586" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8007E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.345" />
+  <B value="-0.012638" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.1" />
+  <Tmax units="K"  value="180.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90359" />
+  <B value="0.2211" />
+  <C value="564.4" />
+  <D value="0.26246" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.601" />
+  <B value="-6646.8" />
+  <C value="-8.9882" />
+  <D value="0.0000074443" />
+  <E value="2" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.633259E+07" />
+  <B value="-2.107222" />
+  <C value="8.013128" />
+  <D value="-9.747514" />
+  <E value="4.114254" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14960" />
+  <B value="1312.1" />
+  <C value="-7.69" />
+  <D value="0.017079" />
+  <E value="0.000015678" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="170" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105770" />
+  <B value="154.89" />
+  <C value="4.5843" />
+  <D value="0.018329" />
+  <E value="-0.000011984" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47947" />
+  <B value="-544.83" />
+  <C value="11.91" />
+  <D value="0.00026005" />
+  <E value="-9.1233E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.088354" />
+  <B value="-183.35" />
+  <C value="-90.512" />
+  <D value="-32289" />
+  <E value="-55646" />
+  <Tmin units="K"  value="338.64" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.0958" />
+  <B value="775.57" />
+  <C value="-0.393" />
+  <D value="-7.9624E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.8851E-08" />
+  <B value="0.79377" />
+  <C value="155.28" />
+  <D value="-11568" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.13846" />
+  <B value="2645.2" />
+  <C value="-37.177" />
+  <D value="0.15078" />
+  <E value="-0.00022598" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00048871" />
+  <B value="1.327" />
+  <C value="43042" />
+  <D value="-3226700" />
+  <Tmin units="K"  value="370.5" />
+  <Tmax units="K"  value="990.5" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018019" />
+  <B value="28.207" />
+  <C value="-2.8898" />
+  <D value="0.00012339" />
+  <E value="-0.0000039362" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17680" />
+  <B value="218.52" />
+  <C value="-0.10368" />
+  <D value="0.000017753" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.90771" />
+  <B value="-10000" />
+  <C value="-83.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.537" />
+  <B value="3368.2" />
+  <C value="-34.373" />
+  <Tmin units="K"  value="342" />
+  <Tmax units="K"  value="503.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.9156" />
+  <B value="-0.0096282" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.204617" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.690725E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="120.5504" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.204" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="63.79" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.1562" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0289561" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.786785" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.324267" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0708565" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5445" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.264" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.5161" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.324267" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0708565" />
+<UnifacVLE name="UNIFAC" >
+  <group id="42"  value="1" />
+  <group id="1"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="28"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="42"  value="1" />
+  <group id="1"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="107-12-0" />
+<Smiles name="SMILES"  value="CCC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2391" />
+<CompoundID name="Name"  value="Dimethyl carbonate" />
+<StructureFormula name="Structure"  value="(CH3O)2CO" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.25163" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="276.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="273.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1825.53" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.084" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.084825" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.337" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.247E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04624" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.04E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.701E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.524E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98328" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.295E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.551" />
+  <B value="-0.0071164" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="109.26" />
+  <Tmax units="K"  value="273.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0073625" />
+  <B value="0.022214" />
+  <C value="557" />
+  <D value="0.083013" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.2975" />
+  <B value="-8353.984" />
+  <C value="-16.14514" />
+  <D value="0.0000181933" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.291764E+07" />
+  <B value="1.146922" />
+  <C value="-2.489366" />
+  <D value="2.898325" />
+  <E value="-1.182726" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1690" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="170430" />
+  <B value="-2560.3" />
+  <C value="-9.9628" />
+  <D value="-0.012169" />
+  <E value="0.000014736" />
+  <Tmin units="K"  value="292.95" />
+  <Tmax units="K"  value="361.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62577" />
+  <B value="-594.2" />
+  <C value="12.53" />
+  <D value="-0.000022352" />
+  <E value="-2.2803E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17199" />
+  <B value="-186.08" />
+  <C value="-30.494" />
+  <D value="-4242.1" />
+  <E value="2158.1" />
+  <Tmin units="K"  value="274" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-235.18" />
+  <B value="9633.9" />
+  <C value="34.904" />
+  <D value="-0.000038795" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="438.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5376E-07" />
+  <B value="0.64846" />
+  <C value="244.72" />
+  <D value="-7103.7" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011223" />
+  <B value="-183.44" />
+  <C value="0.22279" />
+  <D value="-0.0056614" />
+  <E value="0.0000021056" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="363.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023689" />
+  <B value="0.89541" />
+  <C value="568.87" />
+  <D value="19356" />
+  <Tmin units="K"  value="363.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0075981" />
+  <B value="639.66" />
+  <C value="-8.4539" />
+  <D value="0.016647" />
+  <E value="-0.000022126" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4533.1" />
+  <B value="384.59" />
+  <C value="-0.2325" />
+  <D value="0.000052013" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.258" />
+  <B value="-1545" />
+  <C value="-9.27" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.715" />
+  <B value="3264.5" />
+  <C value="-42.989" />
+  <Tmin units="K"  value="335.2" />
+  <Tmax units="K"  value="490.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.3228" />
+  <B value="-0.0072352" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="438.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.245512" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.904691E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.8513" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="79.89" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0350959" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.075345" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.337" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.084825" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3822" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.086" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.337" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20240" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.084825" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="19"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="616-38-6" />
+<Smiles name="SMILES"  value="COC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1392" />
+<CompoundID name="Name"  value="DiEthyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2(OCOO)CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.35725" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254676" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.1322" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12721" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3544" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18727.86" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0717693" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.0415E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4.443408E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.919535" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1202641" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16122" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.223334" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.45386" />
+  <B value="2817.834" />
+  <C value="-84.304" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="577" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.9807E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="184.18" />
+  <Tmax units="K"  value="423.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="170310" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="423.12" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-748.0008" />
+  <B value="383.84" />
+  <C value="-0.1938" />
+  <D value="0.0000364" />
+  <Tmin units="K"  value="126.9366" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000012839" />
+  <B value="1.9951E-08" />
+  <Tmin units="K"  value="263.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8394.8" />
+  <B value="358.12" />
+  <C value="-0.17146" />
+  <D value="0.000031221" />
+  <Tmin units="K"  value="126.94" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.064" />
+  <B value="-1410" />
+  <C value="-8.46" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.72793" />
+  <B value="3499.52" />
+  <C value="-55.48797" />
+  <Tmin units="K"  value="263" />
+  <Tmax units="K"  value="577" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.386994" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.206992E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.1211" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254676" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="120.93" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.3544" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0445" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.975" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3544" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09721" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.166" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3544" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12721" />
+<UnifacVLE name="UNIFAC" >
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+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="113"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-58-8" />
+<Smiles name="SMILES"  value="CCOC(=O)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="23498" />
+<CompoundID name="Name"  value="Methyl Ethyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3(OCOO)CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.93" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3828600" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.30149" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24531" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="385.68" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="258.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.1054" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1108" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.31086" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20328.39" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0615386" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.065E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.510304E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.776586" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1164449" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.608223" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.71522" />
+  <B value="3376.596" />
+  <C value="-49.461" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="565.932" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0559E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="142.15" />
+  <Tmax units="K"  value="348.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="144300" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="348.49" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="160.9996" />
+  <B value="288.84" />
+  <C value="-0.1394" />
+  <D value="0.0000245" />
+  <Tmin units="K"  value="104.5463" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000018456" />
+  <B value="2.3505E-08" />
+  <Tmin units="K"  value="203.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6744.2" />
+  <B value="268.73" />
+  <C value="-0.12137" />
+  <D value="0.000020359" />
+  <Tmin units="K"  value="104.55" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.80696" />
+  <B value="3020.518" />
+  <C value="-60.22383" />
+  <Tmin units="K"  value="308.544" />
+  <Tmax units="K"  value="565.93" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.329198" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.355639E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="360.5232" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24531" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.41" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.31086" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0396" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31086" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1108" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0566" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.626" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.31086" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1108" />
+<UnifacVLE name="UNIFAC" >
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+<Smiles name="SMILES"  value="CCOC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="27991" />
+<CompoundID name="Name"  value="Methyl Phenyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3(OCOO)C6H5" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="711.76" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3441000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.42129" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244961" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="491.76" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="152.1494" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.41299" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19646.23" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0834775" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.0895E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.345156E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.178139E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="931814.4" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.252756" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.07041" />
+  <B value="5677.005" />
+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="711.764" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6776E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="282.26" />
+  <Tmax units="K"  value="643.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="187860" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="643.91" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37380" />
+  <B value="589.92" />
+  <C value="-0.3882" />
+  <D value="0.0000976" />
+  <Tmin units="K"  value="193.1725" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-3.1139E-07" />
+  <B value="1.4221E-08" />
+  <Tmin units="K"  value="403.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33746" />
+  <B value="553.66" />
+  <C value="-0.32246" />
+  <D value="0.00007832" />
+  <Tmin units="K"  value="193.17" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.9825" />
+  <B value="3769.291" />
+  <C value="-93.16374" />
+  <Tmin units="K"  value="393.408" />
+  <Tmax units="K"  value="711.76" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.455428" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.988531E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="257.1649" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244961" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.71" />
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+<SpecificGravity name="Specific gravity"  units="_"  value="1.14" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.41299" />
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+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1385" />
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+<CAS name="CAS number"  value="13509-27-8" />
+<Smiles name="SMILES"  value="COC(=O)OC1=CC=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22587" />
+<CompoundID name="Name"  value="Ethyl Phenyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2(OCOO)C6H5" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="729.29" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2529800" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.55209" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.230336" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="522.67" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.1762" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18105" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.54406" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18670.52" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0937081" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.2245E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.138466E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.263844E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="970006.4" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.867867" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.88975" />
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+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="729.29" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2005E+07" />
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+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="299.52" />
+  <Tmax units="K"  value="661.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="213870" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="661.14" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-38289" />
+  <B value="684.92" />
+  <C value="-0.4426" />
+  <D value="0.0001095" />
+  <Tmin units="K"  value="198.342" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000003703" />
+  <B value="1.3217E-08" />
+  <Tmin units="K"  value="427.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-32096" />
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+  <C value="-0.37254" />
+  <D value="0.000089182" />
+  <Tmin units="K"  value="198.34" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.03089" />
+  <B value="3977.417" />
+  <C value="-104.2059" />
+  <Tmin units="K"  value="418.136" />
+  <Tmax units="K"  value="729.29" />
+  </AntoineVaporPressure>
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+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.279963E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.1277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.230336" />
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+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54406" />
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+<Smiles name="SMILES"  value="CCOC(=O)OC1=CC=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="13125" />
+<CompoundID name="Name"  value="DiPhenyl Carbonate" />
+<StructureFormula name="Structure"  value="(C6H5)2(OCOO)" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="799.32" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2796500" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.59685" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251145" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="572.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="352.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="214.2202" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18261" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.55805" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.600808E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18788.28" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.115626" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.4085E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.832592E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.719642E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="737371.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.512399E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.41177" />
+  <B value="6810.358" />
+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="799.323" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.141145E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="362.5371" />
+  <Tmax units="K"  value="760.5541" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="3" />
+  <A value="-164882.8" />
+  <B value="994.6407" />
+  <C value="-0.464037" />
+  <Tmin units="K"  value="362.5371" />
+  <Tmax units="K"  value="760.5541" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-72586.55" />
+  <B value="927.9609" />
+  <C value="-0.573626" />
+  <D value="0.000147143" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-49.44655" />
+  <B value="15931.93" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="311" />
+  <Tmax units="K"  value="760.5541" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-5.128717E-07" />
+  <B value="1.011284E-08" />
+  <Tmin units="K"  value="517.9102" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="3" />
+  <A value="0.101839" />
+  <B value="0.000518198" />
+  <C value="-1.230409E-06" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="3" />
+  <A value="-0.0506874" />
+  <B value="0.00020251" />
+  <C value="-1.156856E-07" />
+  <Tmin units="K"  value="473.15" />
+  <Tmax units="K"  value="643.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.0985657" />
+  <B value="1.232" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="760.5541" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29100.65" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.10686" />
+  <B value="4305.355" />
+  <C value="-123.6156" />
+  <Tmin units="K"  value="458.392" />
+  <Tmax units="K"  value="799.32" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.659084" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.671221E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="355.1485" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251145" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="211.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0722" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.272" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.55805" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18261" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6234" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.63" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="5.634" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.55805" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18261" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  <group id="19"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="102-09-0" />
+<Smiles name="SMILES"  value="C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1366" />
+<CompoundID name="Name"  value="Ethylene carbonate" />
+<StructureFormula name="Structure"  value="-CH2OCOOCH2-" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="806" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6770000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.193" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.195" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="521.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="309.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="309.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8.01004" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.0621" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0664942" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.442272" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.841E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03822" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.069E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.1E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="260000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09004" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.083E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.828" />
+  <B value="-3.9834E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5442" />
+  <B value="0.2959" />
+  <C value="806" />
+  <D value="0.28857" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="779.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="132.44" />
+  <B value="-12293" />
+  <C value="-15.875" />
+  <D value="0.0000073572" />
+  <E value="2" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="806" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.7297E+07" />
+  <B value="-0.075043" />
+  <C value="3.7018" />
+  <D value="-6.1954" />
+  <E value="2.9631" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="779.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4148.7" />
+  <B value="304010" />
+  <C value="-3104" />
+  <D value="10.582" />
+  <E value="-0.012029" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-57259" />
+  <B value="-17.021" />
+  <C value="11.366" />
+  <D value="0.0033817" />
+  <E value="-0.0000020646" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="511.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50075" />
+  <B value="-516.61" />
+  <C value="12.288" />
+  <D value="0.000013893" />
+  <E value="-2.689E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13741" />
+  <B value="-194.4" />
+  <C value="-144.41" />
+  <D value="-699130" />
+  <E value="1646500" />
+  <Tmin units="K"  value="403" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7402" />
+  <B value="1424.5" />
+  <C value="-0.45708" />
+  <D value="0.0000005934" />
+  <E value="2" />
+  <Tmin units="K"  value="310.93" />
+  <Tmax units="K"  value="372.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5517E-08" />
+  <B value="0.85448" />
+  <C value="116.16" />
+  <D value="-3914.9" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00091342" />
+  <B value="-110.82" />
+  <C value="-0.51748" />
+  <D value="-0.0023793" />
+  <E value="3.9376E-07" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="521.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.030823" />
+  <B value="0.34958" />
+  <C value="3003.2" />
+  <D value="830800" />
+  <Tmin units="K"  value="521.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.069239" />
+  <B value="49.575" />
+  <C value="-2.2485" />
+  <D value="-0.0002049" />
+  <E value="-5.0141E-07" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="779.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5956" />
+  <B value="338.31" />
+  <C value="-0.21843" />
+  <D value="0.000052329" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="0.204056" />
+  <B value="-18366.46" />
+  <C value="-107.1818" />
+  <Tmin units="K"  value="309" />
+  <Tmax units="K"  value="806" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.69" />
+  <B value="5599.1" />
+  <C value="-19.097" />
+  <Tmin units="K"  value="492.45" />
+  <Tmax units="K"  value="701.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6347" />
+  <B value="-0.013224" />
+  <Tmin units="K"  value="310.93" />
+  <Tmax units="K"  value="372.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.202594" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.668715E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="146.3433" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.195" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="75.27" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0299348" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.343115" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.442272" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0664942" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9288" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.47" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.442272" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0664942" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="96-49-1" />
+<Smiles name="SMILES"  value="C1OC(=O)OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2367" />
+<CompoundID name="Name"  value="Propylene carbonate" />
+<StructureFormula name="Structure"  value="-OCH(CH3)CH2OCO-" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="778" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.246" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.206" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="514.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="218.62" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="224.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00116652" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.089" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0852768" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.449764" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.413E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="27300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.65E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04519" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.7E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.0116E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.555E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9617000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09674" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6678E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.979" />
+  <B value="-0.0088829" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.94" />
+  <Tmax units="K"  value="224.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.122" />
+  <B value="0.27599" />
+  <C value="778" />
+  <D value="0.40344" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.32" />
+  <B value="-10530" />
+  <C value="-11.489" />
+  <D value="0.0000052921" />
+  <E value="2" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.145898E+08" />
+  <B value="9.998207" />
+  <C value="-26.2884" />
+  <D value="28.38292" />
+  <E value="-11.49051" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3041.6" />
+  <B value="908.81" />
+  <C value="-3.5669" />
+  <D value="0.00717" />
+  <E value="8.8712E-08" />
+  <Tmin units="K"  value="55" />
+  <Tmax units="K"  value="224.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121750" />
+  <B value="105.89" />
+  <C value="6.5083" />
+  <D value="0.016964" />
+  <E value="-0.000014577" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="425" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="51696" />
+  <B value="-502.59" />
+  <C value="12.655" />
+  <D value="-0.000076494" />
+  <E value="1.3781E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16441" />
+  <B value="-219.89" />
+  <C value="-163.04" />
+  <D value="-737950" />
+  <E value="1715100" />
+  <Tmin units="K"  value="389" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-818.33" />
+  <B value="28057" />
+  <C value="129.62" />
+  <D value="-0.00022812" />
+  <E value="2" />
+  <Tmin units="K"  value="219" />
+  <Tmax units="K"  value="622.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7119E-08" />
+  <B value="0.92676" />
+  <C value="86.628" />
+  <D value="-9783.8" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096241" />
+  <B value="6.7832" />
+  <C value="-1.0385" />
+  <D value="-0.00032841" />
+  <E value="-6.9782E-07" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="514.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017416" />
+  <B value="0.94857" />
+  <C value="659.28" />
+  <D value="16364" />
+  <Tmin units="K"  value="514.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051901" />
+  <B value="69.321" />
+  <C value="-3.1157" />
+  <D value="0.00082804" />
+  <E value="-0.0000049222" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-6737.7" />
+  <B value="477.48" />
+  <C value="-0.32123" />
+  <D value="0.000080589" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="0.412687" />
+  <B value="-16994.83" />
+  <C value="-34.01907" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="778" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.845" />
+  <B value="4552.5" />
+  <C value="-73.662" />
+  <Tmin units="K"  value="471.91" />
+  <Tmax units="K"  value="690.66" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8879" />
+  <B value="-0.012915" />
+  <Tmin units="K"  value="219" />
+  <Tmax units="K"  value="622.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.239863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.784834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="172.1134" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.206" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.79" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0381263" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.208416" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.449764" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0852768" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.6024" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.006" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.449764" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0852768" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="108-32-7" />
+<Smiles name="SMILES"  value="C1C(C)OC(=O)O1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2252" />
+<CompoundID name="Name"  value="2-methyl-1-heptene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2(CH2)3CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="564" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.78" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.77" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.113498" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156655" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.35513" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.51E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08521" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.211E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.699E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.32E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.948E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.1821" />
+  <B value="-0.0061784" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.31" />
+  <Tmax units="K"  value="185.77" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53765" />
+  <B value="0.25476" />
+  <C value="567.01" />
+  <D value="0.28376" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="567" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.46" />
+  <B value="-8257.2" />
+  <C value="-12.941" />
+  <D value="0.0000091062" />
+  <E value="2" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="567" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8021E+07" />
+  <B value="1.4711" />
+  <C value="-3.336" />
+  <D value="3.8018" />
+  <E value="-1.5579" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="546.94" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="564" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88257" />
+  <B value="855.11" />
+  <C value="3.1929" />
+  <D value="0.026245" />
+  <E value="-0.000022451" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92500" />
+  <B value="-450.54" />
+  <C value="12.712" />
+  <D value="0.00068864" />
+  <E value="-3.0334E-07" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26129" />
+  <B value="-298.53" />
+  <C value="-61.563" />
+  <D value="-2356.6" />
+  <E value="-3540.3" />
+  <Tmin units="K"  value="283.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-34.674" />
+  <B value="1655.3" />
+  <C value="3.8693" />
+  <D value="-0.0000085602" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7686E-07" />
+  <B value="0.51551" />
+  <C value="255.32" />
+  <D value="-429.98" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0714" />
+  <B value="1.7767" />
+  <C value="-1.4729" />
+  <D value="-0.00055517" />
+  <E value="-0.0000010492" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="392.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00085233" />
+  <B value="0.71803" />
+  <C value="81.386" />
+  <D value="330930" />
+  <Tmin units="K"  value="392.37" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01103" />
+  <B value="38.104" />
+  <C value="-3.171" />
+  <D value="0.000054009" />
+  <E value="-0.0000046411" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="546.94" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6589.8" />
+  <B value="674.58" />
+  <C value="-0.32408" />
+  <D value="0.00004613" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.992" />
+  <B value="3231.9" />
+  <C value="-50.935" />
+  <Tmin units="K"  value="342.45" />
+  <Tmax units="K"  value="506.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0096" />
+  <B value="-0.012148" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465787" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.801338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="250.4819" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0593532" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724648" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35513" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156655" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.6171" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.844" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.35513" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156655" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15870-10-7" />
+<Smiles name="SMILES"  value="C=C(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22158" />
+<CompoundID name="Name"  value="2-Methoxy-2-Methyl-Heptane" />
+<StructureFormula name="Structure"  value="(CH3O)(CH3)2 C(CH2)4 CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="618.2025" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2357849" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.53093" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24355" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.7301" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="144.2564" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18511" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.433286" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14871.82" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.102631" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.448E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9790565" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.029269" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1629362" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.95423E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="200" />
+  <A value="-8.2705" />
+  <B value="2.1937" />
+  <C value="-3.6992" />
+  <D value="-3.7256" />
+  <E value="2357800" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6655E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="262630" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="618.2" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4265.999" />
+  <B value="921.48" />
+  <C value="-0.5266" />
+  <D value="0.000113" />
+  <Tmin units="K"  value="185.4608" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-4.0287E-08" />
+  <B value="1.4474E-08" />
+  <Tmin units="K"  value="446.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4302" />
+  <B value="902.18" />
+  <C value="-0.49999" />
+  <D value="0.00010387" />
+  <Tmin units="K"  value="185.46" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="3457.7" />
+  <C value="-78.254" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.573677" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.229094E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.8964" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24355" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="195.41" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641327" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.433286" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18511" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7654" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.792" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.433286" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14871.82" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="25"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="27"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="25"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="24"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="76589-16-7" />
+<Smiles name="SMILES"  value="CCCCCC(C)COC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="20101" />
+<CompoundID name="Name"  value="2-Methyl-2-Heptanol" />
+<StructureFormula name="Structure"  value="(CH3)2(OH)C(CH2)4CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="636.6534" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2716180" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48244" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247551" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="467.6976" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.2296" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15788" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.723562" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17397.3" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.100431" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.476E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.238045" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.233886" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1322185" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.204435" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="200" />
+  <A value="-10.016" />
+  <B value="3.415" />
+  <C value="-6.8543" />
+  <D value="-4.7824" />
+  <E value="2716200" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.9114E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="636.65" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-23566" />
+  <B value="923.66" />
+  <C value="-0.6136" />
+  <D value="0.0001657" />
+  <Tmin units="K"  value="190.996" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="3.6537E-07" />
+  <B value="1.4972E-08" />
+  <Tmin units="K"  value="467.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17097" />
+  <B value="807.28" />
+  <C value="-0.46601" />
+  <D value="0.00010374" />
+  <Tmin units="K"  value="191" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.258161" />
+  <B value="-2650" />
+  <C value="-15.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.944" />
+  <B value="3604" />
+  <C value="-85.025" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.559662" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.816203E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.9022" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247551" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0547474" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.82" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.723562" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15788" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6204" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.904" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.723562" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17397.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15788" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="15"  value="1" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="14"  value="1" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="15"  value="1" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="625-25-2" />
+<Smiles name="SMILES"  value="CCCCCC(C)(C)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1431" />
+<CompoundID name="Name"  value="Methylal" />
+<StructureFormula name="Structure"  value="CH3OCH2OCH3" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="480.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.213" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.211" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="315" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="168" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="168.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.13284" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.0944" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0891275" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.285565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.891E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17430" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04497" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.482E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.263E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="335700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8330000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82106" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7998E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.704" />
+  <B value="-0.010677" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.34" />
+  <Tmax units="K"  value="168.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4351" />
+  <B value="0.30572" />
+  <C value="480.6" />
+  <D value="0.31739" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.15058" />
+  <B value="-5217.94" />
+  <C value="-5.982976" />
+  <D value="3.491239E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.956236E+07" />
+  <B value="0.517705" />
+  <C value="0.708214" />
+  <D value="-1.530256" />
+  <E value="0.744705" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23498" />
+  <B value="1741.5" />
+  <C value="-11.164" />
+  <D value="0.04279" />
+  <E value="-0.000078511" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="168.03" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134330" />
+  <B value="575.02" />
+  <C value="0.73414" />
+  <D value="0.035906" />
+  <E value="-0.00003541" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="315" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73387" />
+  <B value="-1249" />
+  <C value="14.774" />
+  <D value="-0.0029552" />
+  <E value="0.0000012399" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16872" />
+  <B value="-171.97" />
+  <C value="-17.875" />
+  <D value="-56.611" />
+  <E value="-1706.7" />
+  <Tmin units="K"  value="240.3" />
+  <Tmax units="K"  value="1968.3" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4058" />
+  <B value="722.36" />
+  <C value="-0.36572" />
+  <D value="2.4819E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="378.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8512E-07" />
+  <B value="0.60235" />
+  <C value="248.43" />
+  <D value="-1208.9" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11543" />
+  <B value="-776.65" />
+  <C value="7.882" />
+  <D value="-0.041206" />
+  <E value="0.000038121" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="315" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014869" />
+  <B value="0.65846" />
+  <C value="470.64" />
+  <D value="206460" />
+  <Tmin units="K"  value="315" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.027396" />
+  <B value="-6.2054" />
+  <C value="-2.2451" />
+  <D value="-0.0022104" />
+  <E value="-0.0000012647" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11636" />
+  <B value="411.45" />
+  <C value="-0.24227" />
+  <D value="0.000049287" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.036011" />
+  <B value="-1350" />
+  <C value="-8.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21" />
+  <B value="2534.2" />
+  <C value="-47.822" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="431.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1816" />
+  <B value="-0.012718" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="378.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23868" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.209402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="115.9081" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.211" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="78.39999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337574" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865971" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.285565" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0891275" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.964403" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.716" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285565" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17430" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0891275" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="25"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="27"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="2" />
+  </Asog>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="24"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-87-5" />
+<Smiles name="SMILES"  value="COCOC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1722" />
+<CompoundID name="Name"  value="Methyl DiEthanolAmine" />
+<StructureFormula name="Structure"  value="CH3N(CH2CH2OH)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="741.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.365" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246154" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="520.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="252.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="252.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00203612" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="119.162" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115302" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.1649" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.366E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.53993E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.067E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.8E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.69E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="469000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.06E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.449" />
+  <B value="-0.0051119" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="100.86" />
+  <Tmax units="K"  value="252.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69135" />
+  <B value="0.25418" />
+  <C value="675" />
+  <D value="0.2857" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-0.352098" />
+  <B value="-4812.65" />
+  <C value="3.121045" />
+  <D value="6.605463E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="678" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.40201E+08" />
+  <B value="0.632751" />
+  <C value="0.350924" />
+  <D value="-0.633597" />
+  <E value="0.0584955" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6425.8" />
+  <B value="839.54" />
+  <C value="-1.7005" />
+  <D value="0.0045352" />
+  <E value="-0.0000053648" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="252.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="181326" />
+  <B value="26.21689" />
+  <C value="0.880838" />
+  <D value="0" />
+  <E value="-0.00001581" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="506.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89777" />
+  <B value="-550.24" />
+  <C value="13.01" />
+  <D value="0.000045139" />
+  <E value="-3.2024E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25763" />
+  <B value="-148.02" />
+  <C value="-177.99" />
+  <D value="-169010" />
+  <E value="271570" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-162.0804" />
+  <B value="9995.149" />
+  <C value="22.49076" />
+  <D value="-0.0000361184" />
+  <E value="1.932506" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.7364E-08" />
+  <B value="0.84268" />
+  <C value="140.24" />
+  <D value="-9063.1" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.869" />
+  <B value="15" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="518" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016443" />
+  <B value="0.97072" />
+  <C value="595.54" />
+  <D value="41960" />
+  <Tmin units="K"  value="518" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0388377" />
+  <B value="-28.75677" />
+  <C value="-2.216016" />
+  <D value="-0.00048763" />
+  <E value="-1.144892E-06" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="742" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4949.1" />
+  <B value="671.33" />
+  <C value="-0.40892" />
+  <D value="0.00009394" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.07032" />
+  <B value="-9774.9" />
+  <C value="-6.426155" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="675" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.512" />
+  <B value="8069.9" />
+  <C value="21.545" />
+  <Tmin units="K"  value="407.94" />
+  <Tmax units="K"  value="592.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.0457" />
+  <B value="-0.029282" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.405616" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.125674E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.4084" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="126.29" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0511332" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.04" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.1649" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115302" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8841" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.5" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.1649" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="28140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115302" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="35"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="35"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="34"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-59-9" />
+<Smiles name="SMILES"  value="CN(CCO)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6861" />
+<CompoundID name="Name"  value="Diethylethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2N(CH2CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="616" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4231" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.218914" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="253" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.85244" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="117.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132864" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.781757" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.407E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.11E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08063" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.133E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.575E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.323E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.84E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.03338E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.088" />
+  <B value="-0.0049843" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="101.2" />
+  <Tmax units="K"  value="253" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63795" />
+  <B value="0.25988" />
+  <C value="592" />
+  <D value="0.27186" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="442.3122" />
+  <B value="-22650.03" />
+  <C value="-64.35227" />
+  <D value="0.0000641088" />
+  <E value="2" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.442525E+07" />
+  <B value="-0.590881" />
+  <C value="4.028331" />
+  <D value="-5.586056" />
+  <E value="2.388691" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2220" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="253" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28933.37" />
+  <B value="738.1104" />
+  <C value="-0.669126" />
+  <D value="0.000593149" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91061" />
+  <B value="-562.7" />
+  <C value="13.172" />
+  <D value="-0.000023606" />
+  <E value="6.7111E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27423" />
+  <B value="-227.63" />
+  <C value="-93.133" />
+  <D value="-46929" />
+  <E value="69828" />
+  <Tmin units="K"  value="296" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.307" />
+  <B value="6061.8" />
+  <C value="10.089" />
+  <D value="-1.4583E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="436.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3335E-07" />
+  <B value="0.7599" />
+  <C value="186.08" />
+  <D value="-6648.4" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0045149" />
+  <B value="-46.605" />
+  <C value="-1.1875" />
+  <D value="-0.0019723" />
+  <E value="-5.2781E-08" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="443" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013877" />
+  <B value="0.99774" />
+  <C value="582.26" />
+  <D value="23748" />
+  <Tmin units="K"  value="436.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="2" />
+  <A value="0.065" />
+  <B value="-0.00011" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-23633" />
+  <B value="791.71" />
+  <C value="-0.51703" />
+  <D value="0.00013437" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.092" />
+  <B value="4628.3" />
+  <C value="-36.082" />
+  <Tmin units="K"  value="360.05" />
+  <Tmax units="K"  value="520.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.4" />
+  <B value="-0.04" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="436.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438537" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.157819E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.6167" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.7" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.05675" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.884" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.781757" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132864" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.315095" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.532" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.602722" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.781757" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132864" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-37-8" />
+<Smiles name="SMILES"  value="CCN(CC)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6864" />
+<CompoundID name="Name"  value="Diisopropanolamine" />
+<StructureFormula name="Structure"  value="CH3CH(OH)CH2NHCH2CH(OH)CH3" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="672" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.454" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.293" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="521.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="315" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="318.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.217912" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="133.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134763" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.38914" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.694E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26610" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08552" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.199E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.54E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.15E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="513000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.636E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.82E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.4982" />
+  <B value="-0.0037318" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="127.26" />
+  <Tmax units="K"  value="318.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54022" />
+  <B value="0.24621" />
+  <C value="672" />
+  <D value="0.22052" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="672" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="339.329" />
+  <B value="-25910.98" />
+  <C value="-45.42461" />
+  <D value="0.0000223088" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4113E+08" />
+  <B value="0.38119" />
+  <C value="1.0156" />
+  <D value="-1.8242" />
+  <E value="0.83437" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7629.4" />
+  <B value="876.24" />
+  <C value="-1.519" />
+  <D value="0.0034005" />
+  <E value="-0.0000033304" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="318.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="119382.9" />
+  <B value="778.3072" />
+  <C value="-0.00245385" />
+  <D value="-1.190941E-06" />
+  <E value="-0.0000013464" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104010" />
+  <B value="-559.93" />
+  <C value="13.272" />
+  <D value="-0.00018865" />
+  <E value="9.0295E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30241" />
+  <B value="-139.52" />
+  <C value="-203.79" />
+  <D value="-134000" />
+  <E value="160130" />
+  <Tmin units="K"  value="336" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-158.9768" />
+  <B value="13684.82" />
+  <C value="19.79212" />
+  <D value="0.0000178855" />
+  <E value="1.442815" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="537.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7289E-07" />
+  <B value="0.71286" />
+  <C value="205.1" />
+  <D value="-6089.6" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.070378" />
+  <B value="-101.18" />
+  <C value="-0.46641" />
+  <D value="-0.0021528" />
+  <E value="2.0992E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="521.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0002313" />
+  <B value="0.90558" />
+  <C value="651.81" />
+  <D value="18136" />
+  <Tmin units="K"  value="521.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.091653" />
+  <B value="26.019" />
+  <C value="-2.0608" />
+  <D value="-0.00014789" />
+  <E value="-5.9445E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15774" />
+  <B value="849.72" />
+  <C value="-0.60159" />
+  <D value="0.00017226" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.64602" />
+  <B value="-6935" />
+  <C value="-41.61" />
+  <Tmin units="K"  value="284.15" />
+  <Tmax units="K"  value="454.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.415" />
+  <B value="5143.2" />
+  <C value="-123.48" />
+  <Tmin units="K"  value="406.61" />
+  <Tmax units="K"  value="601.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="8.486" />
+  <B value="-0.034714" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="537.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.467647" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.25685E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="528.4525" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.293" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="146.81" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.057223" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.999" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.38914" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134763" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5774" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.028" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="2.339337" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.38914" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134763" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="14"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-97-4" />
+<Smiles name="SMILES"  value="CC(O)CNCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="102" />
+<CompoundID name="Name"  value="Cyclobutane" />
+<StructureFormula name="Structure"  value="-(CH2)4-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="459.93" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4980000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.21" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="285.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.48" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="180.101" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.1063" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0814243" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.18474" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.45E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.85E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.122E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="265400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1088000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5678E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.96111" />
+  <B value="0.0000555916" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="173" />
+  <Tmax units="K"  value="182.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.407691" />
+  <B value="0.295395" />
+  <C value="459.93" />
+  <D value="0.248729" />
+  <E value="0" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="60.70694" />
+  <B value="-4389.85" />
+  <C value="-6.086364" />
+  <D value="7.387074E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.344974E+07" />
+  <B value="0.35995" />
+  <C value="-0.0547115" />
+  <D value="0.0583309" />
+  <E value="-0.0233634" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-24126" />
+  <B value="1646.5" />
+  <C value="-13.114" />
+  <D value="0.043967" />
+  <E value="0" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="120" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-3355.973" />
+  <B value="25.71519" />
+  <C value="11.14976" />
+  <D value="-0.0000199586" />
+  <E value="4.55626E-06" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="298.1501" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37380.05" />
+  <B value="-673.6637" />
+  <C value="12.72112" />
+  <D value="-0.000063263" />
+  <E value="1.539025E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.130037" />
+  <B value="-132.3643" />
+  <C value="-8.684027" />
+  <D value="-204.0061" />
+  <E value="215.6664" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="0.0000263799" />
+  <B value="486.4199" />
+  <C value="-9.034853" />
+  <D value="-0.00420404" />
+  <E value="4.708051E-07" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="367.9399" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="2.344771E-06" />
+  <B value="-353.1514" />
+  <C value="-11.15186" />
+  <D value="0.000996526" />
+  <E value="-0.0000002755" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="999.9998" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0169674" />
+  <B value="14.7154" />
+  <C value="-1.831383" />
+  <D value="-0.000155026" />
+  <E value="-0.0000048849" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="285.6601" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00541541" />
+  <B value="-765.5803" />
+  <C value="-2.581507" />
+  <D value="0.00174448" />
+  <E value="-3.307726E-07" />
+  <Tmin units="K"  value="285.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.00834272" />
+  <B value="113.8985" />
+  <C value="-4.119698" />
+  <D value="0.00522719" />
+  <E value="-0.00001579" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="37226.21" />
+  <B value="-77.82548" />
+  <C value="0.815135" />
+  <D value="-0.000593048" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="400" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.94339" />
+  <B value="3076.728" />
+  <C value="10.52672" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="204.95" />
+  <Tmax units="K"  value="433.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-11.36515" />
+  <B value="-1019.814" />
+  <C value="55.89796" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="367.94" />
+  </LiquidViscosityRPS>
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0308894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.698393" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="287-23-0" />
+<Smiles name="SMILES"  value="C1CCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1810" />
+<CompoundID name="Name"  value="Isopropyl mercaptan" />
+<StructureFormula name="Structure"  value="(CH3)2CHSH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="517.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4750000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.281" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="325.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="142.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="142.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00973089" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1606" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0941865" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.21381" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.993E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.59E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2180000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="324300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5736000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="0" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="1" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.093001" />
+  <B value="0.27762" />
+  <C value="517" />
+  <D value="0.29781" />
+  <E value="0" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="497.2953" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="52.49398" />
+  <B value="-5018.813" />
+  <C value="-4.414151" />
+  <D value="1.969036E-13" />
+  <E value="2" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.07186E+07" />
+  <B value="0.189905" />
+  <C value="0.420769" />
+  <D value="-0.0231137" />
+  <E value="-0.258009" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18220" />
+  <B value="1882.6" />
+  <C value="-19.293" />
+  <D value="0.0884" />
+  <E value="0" />
+  <Tmin units="K"  value="14.62" />
+  <Tmax units="K"  value="110.2699" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-4182.09" />
+  <B value="11.57821" />
+  <C value="11.69322" />
+  <D value="0.0000133303" />
+  <E value="0.0000020152" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68588.92" />
+  <B value="-673.2911" />
+  <C value="12.50044" />
+  <D value="1.486465E-06" />
+  <E value="-1.964897E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.153422" />
+  <B value="-199.5338" />
+  <C value="-18.99653" />
+  <D value="1144.562" />
+  <E value="-4039.504" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="1542" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="0.0000158085" />
+  <B value="630.9957" />
+  <C value="-8.670452" />
+  <D value="-0.006493" />
+  <E value="5.676279E-06" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="325.71" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="2.562672E-06" />
+  <B value="-300.3637" />
+  <C value="-11.49051" />
+  <D value="0.00155043" />
+  <E value="-4.080467E-07" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.019346" />
+  <B value="8.361977" />
+  <C value="-1.76982" />
+  <D value="-0.000539416" />
+  <E value="-3.287583E-06" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="325.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018367" />
+  <B value="0.9627" />
+  <C value="646.01" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="325.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0111776" />
+  <B value="26.63325" />
+  <C value="-3.053494" />
+  <D value="0.000331969" />
+  <E value="-0.0000062853" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="46207.41" />
+  <B value="65.01495" />
+  <C value="0.499267" />
+  <D value="-0.000522701" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="487.2" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.08291" />
+  <B value="2786.592" />
+  <C value="-34.12406" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="168.7" />
+  <Tmax units="K"  value="457.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-10.66501" />
+  <B value="-828.3052" />
+  <C value="4.074317" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="323.15" />
+  </LiquidViscosityRPS>
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0360599" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81887" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.225445" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.84" />
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-33-2" />
+<Smiles name="SMILES"  value="CC(C)S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1231" />
+<CompoundID name="Name"  value="Glycerol" />
+<StructureFormula name="Structure"  value="HOCH2CH(OH)CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="725.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.264" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="563.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00952225" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.0938" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0732027" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.544133" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.52E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="34540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05136" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.828E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.471E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="396000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.831E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.477E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.131" />
+  <B value="-0.002161" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="291.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.933664" />
+  <B value="0.246209" />
+  <C value="850" />
+  <D value="0.220672" />
+  <E value="0" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="850" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.57469" />
+  <B value="-13673.87" />
+  <C value="-10.09699" />
+  <D value="1.227718E-11" />
+  <E value="2" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="850" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1E+08" />
+  <B value="1" />
+  <C value="-2.5" />
+  <D value="3.4" />
+  <E value="-1.65" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="765" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14764.07" />
+  <B value="1034.972" />
+  <C value="-4.074509" />
+  <D value="0.00802715" />
+  <E value="0" />
+  <Tmin units="K"  value="25.25" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115.6361" />
+  <B value="-33.33621" />
+  <C value="11.80006" />
+  <D value="0.00238285" />
+  <E value="-0.0000010098" />
+  <Tmin units="K"  value="187.4" />
+  <Tmax units="K"  value="560.9999" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31366.31" />
+  <B value="-311.2541" />
+  <C value="12.31511" />
+  <D value="0.000195602" />
+  <E value="1.752076E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.151103" />
+  <B value="-224.6228" />
+  <C value="-138.7965" />
+  <D value="-370017.6" />
+  <E value="689661.3" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-27" />
+  <B value="-10000" />
+  <C value="70" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="500" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="1.418624E-06" />
+  <B value="-375.5227" />
+  <C value="-11.1197" />
+  <D value="0.000710923" />
+  <E value="4.531819E-08" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="999.9998" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00821317" />
+  <B value="-13.47096" />
+  <C value="-1.285018" />
+  <D value="0.000197192" />
+  <E value="1.226656E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="550.0002" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.00880104" />
+  <B value="-445.7976" />
+  <C value="-2.857337" />
+  <D value="0.000677005" />
+  <E value="8.722756E-08" />
+  <Tmin units="K"  value="561" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00257537" />
+  <B value="-91.44758" />
+  <C value="-2.249489" />
+  <D value="0.000263632" />
+  <E value="-0.0000036975" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="453.1501" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-79.42597" />
+  <B value="492.8435" />
+  <C value="-0.403453" />
+  <D value="0.000139591" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.591" />
+  <B value="-10000" />
+  <C value="-139.59" />
+  <Tmin units="K"  value="274" />
+  <Tmax units="K"  value="444" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.09229" />
+  <B value="4300" />
+  <C value="-125" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="725.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-27" />
+  <B value="-10000" />
+  <C value="70" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="231.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26078" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.544133" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.385629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.06" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="56-81-5" />
+<Smiles name="SMILES"  value="C(C(CO)O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="73" />
+<CompoundID name="Name"  value="N-eicosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)18CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="767" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.19" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.213" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="616.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="309.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="309.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00925737" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="282.547" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.360385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.9065" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.364E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2115" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.854E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.5576E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="934120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7.03E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.758045" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.239199E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="4.0147" />
+  <B value="-0.0026629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="305.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18166" />
+  <B value="0.23351" />
+  <C value="768" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="164.6909" />
+  <B value="-17503.89" />
+  <C value="-19.74205" />
+  <D value="5.399206E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.286E+08" />
+  <B value="0.50351" />
+  <C value="0.32986" />
+  <D value="-0.42184" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5403.1" />
+  <B value="3223.5" />
+  <C value="-13.079" />
+  <D value="0.030371" />
+  <E value="0" />
+  <Tmin units="K"  value="93.6" />
+  <Tmax units="K"  value="267.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="352720" />
+  <B value="807.32" />
+  <C value="0.2122" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="107" />
+  <A value="324810" />
+  <B value="1109000" />
+  <C value="1636" />
+  <D value="745000" />
+  <E value="726.27" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.79988" />
+  <B value="-668.4507" />
+  <C value="-770.312" />
+  <D value="-904093.1" />
+  <E value="1246935" />
+  <Tmin units="K"  value="384" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.5557" />
+  <B value="1830.385" />
+  <C value="-0.148602" />
+  <D value="-7.471032E-06" />
+  <E value="-7.49069E-06" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9236E-07" />
+  <B value="0.62458" />
+  <C value="702.84" />
+  <D value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="100" />
+  <A value="0.2178" />
+  <B value="-0.0002233" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-375.32" />
+  <B value="1.0708" />
+  <C value="-8.7836E+09" />
+  <D value="0" />
+  <Tmin units="K"  value="616.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.058226" />
+  <B value="1.4495" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1502.245" />
+  <B value="1850.479" />
+  <C value="-1.010299" />
+  <D value="0.000213775" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="28.5" />
+  <B value="9800" />
+  <C value="-10" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.9065" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.360385" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="13.9414" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="11.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.9065" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.360385" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-95-8" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22908" />
+<CompoundID name="Name"  value="DiButyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CH2(OCOO)CH2CH2CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577.9457" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2554740" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48029" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255346" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="480.6" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="174.2374" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16285" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.380499" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.505894E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14896.02" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.112724" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.5825E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.824176E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.508667E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1355409" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.683778E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.02883" />
+  <B value="4492.482" />
+  <C value="-50.81" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="577" />
+  </VaporPressure>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.00609" />
+  <B value="3745.612" />
+  <C value="-83.77373" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="577.9457" />
+  </AntoineVaporPressure>
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="203.01" />
+<Charge name="Charge"  units="_"  value="0" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<CAS name="CAS number"  value="542-52-9" />
+<Smiles name="SMILES"  value="CCCCOC(=O)OCCCC" />
+</compound>
+
+</compounds>
diff --git a/Simulator/database.mo b/Simulator/database.mo
new file mode 100644
index 0000000..33caf30
--- /dev/null
+++ b/Simulator/database.mo
@@ -0,0 +1,6 @@
+package database
+model Water extends Simulator.Files.Chemsep_Database.General_Properties(name = "Water", CAS = "7732-18-5", Tc = 647.14, Pc = 2.2064E+07,  Vc = 0.05595, Cc = 0.229, Tb = 373.15, Tm = 273.15, TT = 273.16, TP = 611.73, MW = 18.015, LVB = 0.01807, AF = 0.344, SP = 47860, DM = 6.17E-30, IGHF = -2.41814E+08, GEF = -2.2859E+08, AS = 188724, HFMP = 6001740, HOC = 0, LiqDen = {106,32.51621,-3.213004,7.92411,-7.359898,2.703522}, VP = {101,74.55502,-7295.586,-7.442448,0.0000042881,2}, LiqCp = {16,75539,-22297,136.02,-0.25622,0.00018273}, HOV = {106,5.964E+07,0.86515,-1.1134,0.67764,-0.026925}, VapCp = {16,33200,-878.9001,8.436956,0.00207627,-6.467085E-07}, LiqVis = {101,-133.7,6785.7,18.47,-0.000014736,2}, VapVis = {102,7.002327E-08,0.934576,195.6338,-13045.99,0}, LiqK = {16,-1.5697,-55.141,0.7832,0.0011484,-0.0000018151}, VapK = {102,0.0000065986,1.3947,59.478,-15484,0}, Racketparam = 0.2338, UniquacR = 0.92, UniquacQ = 1.4, ChaoSeadAF = 0.328, ChaoSeadSP = 47812.7, ChaoSeadLV = 0.0180674);
+end Water;model Oxygen extends Simulator.Files.Chemsep_Database.General_Properties(name = "Oxygen", CAS = "7782-44-7", Tc = 154.58, Pc = 5043000,  Vc = 0.07337, Cc = 0.288, Tb = 90.17, Tm = 54.361, TT = 54.361, TP = 150, MW = 31.999, LVB = 0.02785, AF = 0.022, SP = 8182, DM = 0, IGHF = 0, GEF = 0, AS = 205043, HFMP = 444000, HOC = 0, LiqDen = {105,2.6097,0.23614,154.78,0.23695,0}, VP = {101,40.55487,-1120.543,-3.776114,0.0000485344,2}, LiqCp = {16,53393,-1966.4,48.21,-0.31631,0.0010466}, HOV = {106,1.0672E+07,1.5661,-3.4356,3.5416,-1.2718}, VapCp = {16,29061.62,-1470.897,11.10778,-0.00128484,3.183122E-07}, LiqVis = {101,-5.2319,116.13,-1.0315,0.0000034376,2}, VapVis = {102,8.0134E-07,0.60321,56.09,1584.9,0}, LiqK = {16,-0.19654,-10.535,-0.46717,-0.0052064,-3.3418E-07}, VapK = {102,0.0004508,0.74544,58.278,-562.62,0}, Racketparam = 0.2908, UniquacR = 0.857, UniquacQ = 0.94, ChaoSeadAF = 0.019, ChaoSeadSP = 8181.93, ChaoSeadLV = 0.0280225);
+end Oxygen;
+
+end database;
\ No newline at end of file
diff --git a/chemsep1.xml b/chemsep1.xml
new file mode 100644
index 0000000..547e246
--- /dev/null
+++ b/chemsep1.xml
@@ -0,0 +1,94686 @@
+<compounds library="ChemSep v7.30 pure component data - Copyright (c) Harry Kooijman and Ross Taylor (2017) - http://www.perlfoundation.org/artistic_license_2_0 modified  on 11/25/2017 01:11:11 AM by harry" file="c:\program files\chemsepl7v30\pcd\chemsep1.xml" create-date="05-07-2018" create-time="12:11:14" create-user="Rahul" >
+
+<compound>
+<LibraryIndex name="Index"  value="915" />
+<CompoundID name="Name"  value="Air" />
+<StructureFormula name="Structure"  value="(N2)0.781 (O2)0.209 (Ar)0.01" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="132.45" />a
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3774000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.09147" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.313" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="78.67" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="59.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="59.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5642.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.96" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0329147" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12750" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="199000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6731" />
+  <B value="0.25637" />
+  <C value="132.51" />
+  <D value="0.26788" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="14.794" />
+  <B value="-599.85" />
+  <C value="1.0009" />
+  <D value="-3.9938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7385651" />
+  <B value="0.276676" />
+  <C value="0.211253" />
+  <D value="-0.836764" />
+  <E value="0.722737" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="132.45" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53628" />
+  <B value="4511.1" />
+  <C value="-143.29" />
+  <D value="1.582" />
+  <E value="-0.0051332" />
+  <Tmin units="K"  value="75" />
+  <Tmax units="K"  value="124" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29562.29" />
+  <B value="-7.164949" />
+  <C value="0.0216294" />
+  <D value="-0.0000139748" />
+  <E value="2.89195E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043047" />
+  <B value="-17.122" />
+  <C value="0.11732" />
+  <D value="-0.34143" />
+  <E value="0.30384" />
+  <Tmin units="K"  value="118.15" />
+  <Tmax units="K"  value="248.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-72.336" />
+  <B value="813.48" />
+  <C value="12.687" />
+  <D value="-0.00033062" />
+  <E value="2" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="130" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001592" />
+  <B value="0.48975" />
+  <C value="123.45" />
+  <D value="-829.58" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21199" />
+  <B value="-16.311" />
+  <C value="-0.23057" />
+  <D value="-0.0076197" />
+  <E value="0.0000025018" />
+  <Tmin units="K"  value="75" />
+  <Tmax units="K"  value="125" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003511" />
+  <B value="0.76492" />
+  <C value="16.071" />
+  <D value="1084.4" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29236" />
+  <B value="-3.8558" />
+  <C value="0.012307" />
+  <D value="-0.0000048402" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.72" />
+  <B value="765.88" />
+  <C value="4.6692" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="119" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.8411" />
+  <B value="-0.020116" />
+  <C value="-0.000025724" />
+  <Tmin units="K"  value="59.15" />
+  <Tmax units="K"  value="130" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.09147" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.711E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="78.6" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.29056" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="19.7" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00105" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.879574" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.00787976" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0329147" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.00787976" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12749.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0329147" />
+<CAS name="CAS number"  value="132259-10-0" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="914" />
+<CompoundID name="Name"  value="Argon" />
+<StructureFormula name="Structure"  value="Ar" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="150.86" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4898000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07457" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.291" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="87.27" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="83.8039" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="83.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="68906.1" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="39.948" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.002" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14138.3" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0168" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.67E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="154732" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1184900" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.52483" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="44.333" />
+  <B value="-1.8037E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="3.803" />
+  <B value="0.286" />
+  <C value="150.86" />
+  <D value="0.2984" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="150.86" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="44.369" />
+  <B value="-1126.1" />
+  <C value="-4.5688" />
+  <D value="0.000062339" />
+  <E value="2" />
+  <Tmin units="K"  value="78.65" />
+  <Tmax units="K"  value="150.86" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7981000" />
+  <B value="0.099752" />
+  <C value="0.32009" />
+  <D value="-0.11898" />
+  <E value="0.031141" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="147.33" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46085" />
+  <B value="-1304.5" />
+  <C value="21.195" />
+  <D value="-0.015382" />
+  <E value="0.000033063" />
+  <Tmin units="K"  value="83.8" />
+  <Tmax units="K"  value="135" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037508" />
+  <B value="-15.054" />
+  <C value="-0.081999" />
+  <D value="0.018532" />
+  <E value="-0.011981" />
+  <Tmin units="K"  value="75.4" />
+  <Tmax units="K"  value="773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-99.903" />
+  <B value="1347.5" />
+  <C value="17.615" />
+  <D value="-0.00032893" />
+  <E value="2" />
+  <Tmin units="K"  value="84.1" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010023" />
+  <B value="0.5922" />
+  <C value="85.563" />
+  <D value="238.26" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.30397" />
+  <B value="-0.82999" />
+  <C value="-0.71462" />
+  <D value="-0.00039294" />
+  <E value="-0.000012209" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="150" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013095" />
+  <B value="0.81923" />
+  <C value="-122.33" />
+  <D value="13993" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0029464" />
+  <B value="165.33" />
+  <C value="-8.8347" />
+  <D value="0.058394" />
+  <E value="-0.00030536" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="147.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000513" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.673" />
+  <B value="804.37" />
+  <C value="0.74965" />
+  <Tmin units="K"  value="90.84" />
+  <Tmax units="K"  value="135" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.9431" />
+  <B value="-0.0071879" />
+  <C value="-0.000089817" />
+  <Tmin units="K"  value="84.1" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.07541" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.454841E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="115.745" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47531" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.37018" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.0092" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0285865" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1074" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.068" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011721" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.97237" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.002" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14138.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0285865" />
+<GCmethod name="PPR78" >
+  <group id="24"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="201"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-37-1" />
+<Smiles name="SMILES"  value="[Ar]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="922" />
+<CompoundID name="Name"  value="Bromine" />
+<StructureFormula name="Structure"  value="BrBr" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="584.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.03E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.135" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="265.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="265.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5853.37" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="159.808" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0514795" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.128997" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.69E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0288" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.091E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3140000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="245350" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.057E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.68333" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="25.7" />
+  <B value="1.8384E-08" />
+  <Tmin units="K"  value="79.15" />
+  <Tmax units="K"  value="88.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.0603" />
+  <B value="0.28982" />
+  <C value="584.15" />
+  <D value="0.28948" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.657" />
+  <B value="-5321.6" />
+  <C value="-6.3199" />
+  <D value="0.0000054412" />
+  <E value="2" />
+  <Tmin units="K"  value="265.15" />
+  <Tmax units="K"  value="584.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8419E+07" />
+  <B value="-0.26282" />
+  <C value="2.1808" />
+  <D value="-2.7529" />
+  <E value="1.1823" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8018.8" />
+  <B value="1284.8" />
+  <C value="-11.519" />
+  <D value="0.046329" />
+  <E value="-0.000065817" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="265.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75351" />
+  <B value="-4.87E+07" />
+  <C value="54033" />
+  <D value="102.73" />
+  <E value="0.43775" />
+  <Tmin units="K"  value="265.9" />
+  <Tmax units="K"  value="331.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="35000" />
+  <B value="-410" />
+  <C value="8.5" />
+  <D value="-0.00016" />
+  <E value="-0.00000001" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.073884" />
+  <B value="-101.75" />
+  <C value="-12.933" />
+  <D value="11359" />
+  <E value="-33103" />
+  <Tmin units="K"  value="282.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.9813" />
+  <B value="410.55" />
+  <C value="-0.30036" />
+  <D value="-0.000006936" />
+  <E value="2" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1438E-07" />
+  <B value="0.88111" />
+  <C value="59.595" />
+  <D value="-6723.3" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.69183" />
+  <B value="27.775" />
+  <C value="-0.38966" />
+  <D value="0.00057103" />
+  <E value="-8.8462E-07" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="584" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000065648" />
+  <B value="1.4785" />
+  <C value="4505.6" />
+  <D value="-870500" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="520" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014274" />
+  <B value="235.98" />
+  <C value="-4.5131" />
+  <D value="0.0059159" />
+  <E value="-0.000010567" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="584.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35550.42" />
+  <B value="3.836859" />
+  <C value="-0.0019729" />
+  <D value="3.186391E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.0128" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.108" />
+  <B value="3517.5" />
+  <C value="1.886" />
+  <Tmin units="K"  value="351.95" />
+  <Tmax units="K"  value="517.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.1152" />
+  <B value="-0.015793" />
+  <C value="0.000010028" />
+  <Tmin units="K"  value="265.85" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.152689" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.29916E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="421.071" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.279241" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="69" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0233" />
+<SpecificGravity name="Specific gravity"  units="_"  value="3.35803" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.108" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0514795" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.8985" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.672" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.108" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23591.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0514795" />
+<Umr name="UMR" >
+  <group id="208"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7726-95-6" />
+<Smiles name="SMILES"  value="BrBr" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1501" />
+<CompoundID name="Name"  value="Carbon tetrachloride" />
+<StructureFormula name="Structure"  value="CCl4" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="556.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4557000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="349.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="250.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="250.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1122.46" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="153.822" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09707" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.187" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.482E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0523" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.581E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.354E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2535000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8319" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.653E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.438" />
+  <B value="-0.0072903" />
+  <C value="0.00003899" />
+  <Tmin units="K"  value="83.15" />
+  <Tmax units="K"  value="250.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0721" />
+  <B value="0.28328" />
+  <C value="556.3" />
+  <D value="0.30092" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="554.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.671" />
+  <B value="-6304.2" />
+  <C value="-9.2247" />
+  <D value="0.0000074352" />
+  <E value="2" />
+  <Tmin units="K"  value="213.45" />
+  <Tmax units="K"  value="556.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.1764E+07" />
+  <B value="-1.5729" />
+  <C value="5.2158" />
+  <D value="-5.5259" />
+  <E value="2.1931" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="553.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="60986" />
+  <B value="-293.46" />
+  <C value="5.2282" />
+  <D value="-0.019314" />
+  <E value="0.00002862" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="250.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129390" />
+  <B value="1959.2" />
+  <C value="-18.833" />
+  <D value="0.080834" />
+  <E value="-0.000047491" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="388.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37588.04" />
+  <B value="-242.5309" />
+  <C value="11.66726" />
+  <D value="-0.000446049" />
+  <E value="1.391101E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20113" />
+  <B value="-311.19" />
+  <C value="-16.896" />
+  <D value="-1136.9" />
+  <E value="1442.5" />
+  <Tmin units="K"  value="278.2" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.297" />
+  <B value="1645" />
+  <C value="1.7588" />
+  <D value="-0.0000028163" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="455" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029947" />
+  <B value="0.37756" />
+  <C value="454.35" />
+  <D value="5708.3" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.034432" />
+  <B value="-227.95" />
+  <C value="-0.38117" />
+  <D value="-0.0048371" />
+  <E value="-0.0000011782" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="428.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001208" />
+  <B value="0.98541" />
+  <C value="1411.1" />
+  <D value="-36584" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010075" />
+  <B value="136.76" />
+  <C value="-4.0687" />
+  <D value="0.0038054" />
+  <E value="-0.0000094387" />
+  <Tmin units="K"  value="250.33" />
+  <Tmax units="K"  value="540.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20936" />
+  <B value="348.23" />
+  <C value="-0.59532" />
+  <D value="0.00047717" />
+  <E value="-0.000000146" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.994" />
+  <B value="2974" />
+  <C value="-35.755" />
+  <Tmin units="K"  value="336.67" />
+  <Tmax units="K"  value="498.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.26584" />
+  <B value="-0.031175" />
+  <C value="0.000028846" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="455" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2754" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.820829E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="330.3023" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="99.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55223" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0391" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.60128" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1875" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0971395" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.33" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.82" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.82" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2581" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.695" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17546.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0971395" />
+<UnifacVLE name="UNIFAC" >
+  <group id="53"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="39"  value="1" />
+  </UnifacLLE>
+<GCmethod name="PPR78" >
+  <group id="53"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="53"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="52"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="56-23-5" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="908" />
+<CompoundID name="Name"  value="Carbon monoxide" />
+<StructureFormula name="Structure"  value="CO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="132.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3494000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0931" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.292" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="81.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="68.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="68.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15400" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.01" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03488" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.045" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.582E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="6402" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.74E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0162" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1053E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.3715E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="197556" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="840984" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.5567" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.83E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="38.293" />
+  <B value="-0.062464" />
+  <Tmin units="K"  value="27.26" />
+  <Tmax units="K"  value="68.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.2423" />
+  <B value="0.2437" />
+  <C value="132.93" />
+  <D value="0.24196" />
+  <Tmin units="K"  value="68.13" />
+  <Tmax units="K"  value="132.92" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.283" />
+  <B value="-1035.1" />
+  <C value="-4.2012" />
+  <D value="0.000062546" />
+  <E value="2" />
+  <Tmin units="K"  value="64.07" />
+  <Tmax units="K"  value="132.92" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8585000" />
+  <B value="0.4921" />
+  <C value="-0.326" />
+  <D value="0.2231" />
+  <E value="0" />
+  <Tmin units="K"  value="68.13" />
+  <Tmax units="K"  value="132.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1396" />
+  <B value="-235.75" />
+  <C value="86.77" />
+  <D value="-2.1914" />
+  <E value="0.018145" />
+  <Tmin units="K"  value="11.95" />
+  <Tmax units="K"  value="62" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63364" />
+  <B value="-10524" />
+  <C value="359.6" />
+  <D value="-3.9494" />
+  <E value="0.014624" />
+  <Tmin units="K"  value="68.09" />
+  <Tmax units="K"  value="132" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29100" />
+  <B value="-1979.753" />
+  <C value="10.58274" />
+  <D value="-0.0000790406" />
+  <E value="-1.99685E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.050638" />
+  <B value="-16.861" />
+  <C value="-0.070987" />
+  <D value="-0.00093802" />
+  <E value="0.00049395" />
+  <Tmin units="K"  value="66.46" />
+  <Tmax units="K"  value="664.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-82.158" />
+  <B value="1037.8" />
+  <C value="14.229" />
+  <D value="-0.00028204" />
+  <E value="2" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="131.37" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012713" />
+  <B value="0.51494" />
+  <C value="105.97" />
+  <D value="-231.11" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.23621" />
+  <B value="-3.5251" />
+  <C value="-0.55788" />
+  <D value="-0.0039362" />
+  <E value="-0.0000082725" />
+  <Tmin units="K"  value="65" />
+  <Tmax units="K"  value="125" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00061581" />
+  <B value="0.6828" />
+  <C value="61.287" />
+  <D value="221.32" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087233" />
+  <B value="5.9843" />
+  <C value="-3.6585" />
+  <D value="0.00036163" />
+  <E value="-0.000067401" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="129.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29443.72" />
+  <B value="-5.672939" />
+  <C value="0.0158794" />
+  <D value="-6.436214E-06" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.308" />
+  <B value="678.37" />
+  <C value="-4.4122" />
+  <Tmin units="K"  value="80.95" />
+  <Tmax units="K"  value="119.28" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.2198" />
+  <B value="-0.055919" />
+  <C value="0.00017035" />
+  <Tmin units="K"  value="68.15" />
+  <Tmax units="K"  value="131.37" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0921398" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.704834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="103.1937" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2918" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0111" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.799388" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0295" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0354426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.0679" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.112" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.02528" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.093" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="6402.36" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0354426" />
+<GCmethod name="PPR78" >
+  <group id="22"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="214"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="630-08-0" />
+<Smiles name="SMILES"  value="[C+]#[O-]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="909" />
+<CompoundID name="Name"  value="Carbon dioxide" />
+<StructureFormula name="Structure"  value="OCO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="304.21" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7383000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.094" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="518672" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0095" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0616782" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.223621" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.04E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0197" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.23E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.9351E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.9437E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="213677" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9019000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8255" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="42.04" />
+  <B value="-0.034421" />
+  <C value="-0.0002847" />
+  <Tmin units="K"  value="143.1" />
+  <Tmax units="K"  value="216.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.768" />
+  <B value="0.26212" />
+  <C value="304.21" />
+  <D value="0.2908" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.478" />
+  <B value="-4070" />
+  <C value="-12.07" />
+  <D value="0.000029505" />
+  <E value="2" />
+  <Tmin units="K"  value="216.4" />
+  <Tmax units="K"  value="304.21" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1092E+07" />
+  <B value="0.35366" />
+  <C value="-0.46134" />
+  <D value="0.43554" />
+  <E value="0.037671" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18283" />
+  <B value="1360.3" />
+  <C value="-12.153" />
+  <D value="0.051584" />
+  <E value="-0.000076997" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="216.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80592" />
+  <B value="108.83" />
+  <C value="-6.9126" />
+  <D value="0.059647" />
+  <E value="0.0000069922" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28933" />
+  <B value="-494.28" />
+  <C value="10.658" />
+  <D value="-0.000027375" />
+  <E value="3.3268E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.05255" />
+  <B value="-35.057" />
+  <C value="-1.6557" />
+  <D value="121.54" />
+  <E value="-254.34" />
+  <Tmin units="K"  value="152.1" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7022" />
+  <B value="-166.34" />
+  <C value="0.38094" />
+  <D value="-0.00004018" />
+  <E value="2" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000022464" />
+  <B value="0.45495" />
+  <C value="292.64" />
+  <D value="1669.1" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="1900" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.24975" />
+  <B value="-55.106" />
+  <C value="0.41735" />
+  <D value="-0.0051067" />
+  <E value="0.0000020157" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="300" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="5.804" />
+  <B value="-0.44522" />
+  <C value="794.13" />
+  <D value="2139600" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011629" />
+  <B value="-183.67" />
+  <C value="0.069773" />
+  <D value="-0.012408" />
+  <E value="-0.0000018232" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="304.21" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="19800" />
+  <B value="73.44" />
+  <C value="-0.05602" />
+  <D value="0.00001715" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.794" />
+  <B value="1725.4" />
+  <C value="-16.793" />
+  <Tmin units="K"  value="216.73" />
+  <Tmax units="K"  value="271.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-8.3078" />
+  <B value="0.012091" />
+  <C value="-0.000055826" />
+  <Tmin units="K"  value="216.58" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.104698" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.011624E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.9268" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.270937" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="26.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.16755" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0132" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.825335" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.231" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0372744" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.2986" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.292" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004474" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.7039" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.231" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14563.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0372744" />
+<GCmethod name="PPR78" >
+  <group id="12"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="215"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="124-38-9" />
+<Smiles name="SMILES"  value="O=C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1938" />
+<CompoundID name="Name"  value="Carbon disulfide" />
+<StructureFormula name="Structure"  value="SCS" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.16" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="319.375" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.11" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.4944" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1407" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0606387" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.110697" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.569E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0312" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.75366E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.68E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="237900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4393000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66599" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.0769E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.411" />
+  <B value="-1.6913E-08" />
+  <Tmin units="K"  value="157.45" />
+  <Tmax units="K"  value="166.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7976" />
+  <B value="0.28757" />
+  <C value="552" />
+  <D value="0.32269" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="52.62041" />
+  <B value="-4546.02" />
+  <C value="-4.744246" />
+  <D value="4.881551E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.9758E+07" />
+  <B value="0.68679" />
+  <C value="0.18227" />
+  <D value="-1.7985" />
+  <E value="1.3658" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11237" />
+  <B value="1443.9" />
+  <C value="-14.995" />
+  <D value="0.077354" />
+  <E value="-0.00014378" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69032" />
+  <B value="671.75" />
+  <C value="2.3423" />
+  <D value="0.015972" />
+  <E value="-0.0000043479" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="26779" />
+  <B value="-222.87" />
+  <C value="10.557" />
+  <D value="0.00011062" />
+  <E value="-5.3772E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.098838" />
+  <B value="-139" />
+  <C value="-11.954" />
+  <D value="1024.2" />
+  <E value="-2823.7" />
+  <Tmin units="K"  value="276" />
+  <Tmax units="K"  value="1932" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.8702" />
+  <B value="691.26" />
+  <C value="-0.072299" />
+  <D value="1.6489E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="161.58" />
+  <Tmax units="K"  value="441.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9681E-08" />
+  <B value="0.92304" />
+  <C value="48.01" />
+  <D value="-162.47" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.12378" />
+  <B value="-150.01" />
+  <C value="-0.453" />
+  <D value="-0.0078739" />
+  <E value="-0.0000032002" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="319.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00033762" />
+  <B value="0.73827" />
+  <C value="483.3" />
+  <D value="-4769.2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015366" />
+  <B value="31.596" />
+  <C value="-2.7768" />
+  <D value="0.00031369" />
+  <E value="-0.0000054115" />
+  <Tmin units="K"  value="161.11" />
+  <Tmax units="K"  value="552" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23177" />
+  <B value="96.491" />
+  <C value="-0.087795" />
+  <D value="0.000027305" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.955809" />
+  <B value="-1300" />
+  <C value="-7.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.694" />
+  <B value="3154.6" />
+  <C value="-9.3773" />
+  <Tmin units="K"  value="336.03" />
+  <Tmax units="K"  value="495.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3517" />
+  <B value="-0.028388" />
+  <C value="0.000032128" />
+  <Tmin units="K"  value="161.58" />
+  <Tmax units="K"  value="441.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.768909E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.5016" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="61.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.05841" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0256" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26931" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1035" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0606387" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.057" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.65" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.21329" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.107865" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20410.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0606387" />
+<UnifacVLE name="UNIFAC" >
+  <group id="59"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="59"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="59"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="58"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-15-0" />
+<Smiles name="SMILES"  value="S=C=S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1894" />
+<CompoundID name="Name"  value="Phosgene" />
+<StructureFormula name="Structure"  value="COCl2" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="455" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5674200" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.19" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.285" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="280.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="145.37" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="145.37" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.920651" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.9161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0597955" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.201309" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.877E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0349" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.189E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.0479E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="283740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5738400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79377" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.746E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.551" />
+  <B value="-3.4911E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4691" />
+  <B value="0.2768" />
+  <C value="455" />
+  <D value="0.27965" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.03568" />
+  <B value="-5112.106" />
+  <C value="-9.267047" />
+  <D value="0.0000119936" />
+  <E value="2" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="455.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.367252E+07" />
+  <B value="1.081822" />
+  <C value="-0.773774" />
+  <D value="-0.1937" />
+  <E value="0.317951" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18843" />
+  <B value="2190.2" />
+  <C value="-28.32" />
+  <D value="0.18" />
+  <E value="-0.00042062" />
+  <Tmin units="K"  value="12.61" />
+  <Tmax units="K"  value="139.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101240" />
+  <B value="-202030" />
+  <C value="196.31" />
+  <D value="2.1704" />
+  <E value="-0.0015512" />
+  <Tmin units="K"  value="139.95" />
+  <Tmax units="K"  value="280" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32506" />
+  <B value="-282.16" />
+  <C value="11.124" />
+  <D value="-0.00017636" />
+  <E value="4.5651E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1073" />
+  <B value="-108.96" />
+  <C value="-9.5718" />
+  <D value="1547.3" />
+  <E value="-3904.5" />
+  <Tmin units="K"  value="227.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-789.51" />
+  <B value="22474" />
+  <C value="129.1" />
+  <D value="-0.00032789" />
+  <E value="2" />
+  <Tmin units="K"  value="224.53" />
+  <Tmax units="K"  value="280.71" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.2229E-07" />
+  <B value="0.58405" />
+  <C value="277.35" />
+  <D value="-6111.6" />
+  <Tmin units="K"  value="280.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0025061" />
+  <B value="3.5674" />
+  <C value="-1.6592" />
+  <D value="-0.0007952" />
+  <E value="-0.0000018088" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="312.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000024368" />
+  <B value="1.1423" />
+  <C value="246.56" />
+  <D value="4296.5" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="800" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016139" />
+  <B value="28.561" />
+  <C value="-2.9789" />
+  <D value="0.00058557" />
+  <E value="-0.0000072142" />
+  <Tmin units="K"  value="145.37" />
+  <Tmax units="K"  value="438.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24077" />
+  <B value="146.75" />
+  <C value="-0.13621" />
+  <D value="0.00004266" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.371608" />
+  <B value="-2350" />
+  <C value="-14.1" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.656" />
+  <B value="2693.4" />
+  <C value="-15.019" />
+  <Tmin units="K"  value="275.74" />
+  <Tmax units="K"  value="406.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2091" />
+  <B value="-0.031794" />
+  <C value="0.000046341" />
+  <Tmin units="K"  value="224.53" />
+  <Tmax units="K"  value="280.71" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.19221" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.838184E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="323.8665" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="64.01" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01253" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0271" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.381" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0705389" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.300593" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.08" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.20305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1918" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17837.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0705389" />
+<CAS name="CAS number"  value="75-44-5" />
+<Smiles name="SMILES"  value="ClC(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1855" />
+<CompoundID name="Name"  value="Trichloroacetyl chloride" />
+<StructureFormula name="Structure"  value="CCl3COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="604" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3408" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.293" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5.18177" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="181.833" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112961" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.282386" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.037E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06337" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.398E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.8E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9040000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.062E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.247" />
+  <B value="-0.0070805" />
+  <Tmin units="K"  value="86.48" />
+  <Tmax units="K"  value="216.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76674" />
+  <B value="0.26122" />
+  <C value="604" />
+  <D value="0.28678" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.9617" />
+  <B value="-10592.68" />
+  <C value="-23.45621" />
+  <D value="0.0000238342" />
+  <E value="2" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.449329E+08" />
+  <B value="7.45895" />
+  <C value="-20.20511" />
+  <D value="23.04844" />
+  <E value="-9.793955" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177260" />
+  <B value="-1933.8" />
+  <C value="48.92" />
+  <D value="-0.20004" />
+  <E value="0.00024097" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91870" />
+  <B value="-696.64" />
+  <C value="12.555" />
+  <D value="-0.0015691" />
+  <E value="6.1156E-07" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25973" />
+  <B value="-344.77" />
+  <C value="-15.647" />
+  <D value="-53770" />
+  <E value="128480" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.095" />
+  <B value="1867" />
+  <C value="-0.00010079" />
+  <D value="1.1286E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001265" />
+  <B value="0.7796" />
+  <C value="98.46" />
+  <D value="0.0024692" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.043702" />
+  <B value="-153.3" />
+  <C value="-0.62199" />
+  <D value="-0.0058162" />
+  <E value="0.0000023649" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0006898" />
+  <B value="0.5929" />
+  <C value="623.5" />
+  <D value="0.0039481" />
+  <Tmin units="K"  value="391.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090309" />
+  <B value="135.05" />
+  <C value="-3.8737" />
+  <D value="0.003953" />
+  <E value="-0.0000095091" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="604" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="57646" />
+  <B value="236.17" />
+  <C value="-0.225" />
+  <D value="0.000077151" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.34" />
+  <B value="2694.7" />
+  <C value="-85.515" />
+  <Tmin units="K"  value="379.48" />
+  <Tmax units="K"  value="542.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="7.2231" />
+  <B value="-0.06534" />
+  <C value="0.000072292" />
+  <Tmin units="K"  value="216.2" />
+  <Tmax units="K"  value="391.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.33807" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.686395E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="474.9781" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="121.91" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0493" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.62992" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34435" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.112737" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.177323" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.544" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347734" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18501.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.112737" />
+<CAS name="CAS number"  value="76-02-8" />
+<Smiles name="SMILES"  value="ClC(Cl)(Cl)C(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1904" />
+<CompoundID name="Name"  value="Hydrogen chloride" />
+<StructureFormula name="Structure"  value="HCl" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="324.69" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.081" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="188.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13521.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="36.461" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03028" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.126" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.09E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01602" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.231E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.53E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="186786" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66635" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.86E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="41.04" />
+  <B value="-0.0070156" />
+  <Tmin units="K"  value="103.15" />
+  <Tmax units="K"  value="158.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3619" />
+  <B value="0.23301" />
+  <C value="324.69" />
+  <D value="0.25076" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="138.2562" />
+  <B value="-4825.245" />
+  <C value="-19.73669" />
+  <D value="0.0000650759" />
+  <E value="2" />
+  <Tmin units="K"  value="142.85" />
+  <Tmax units="K"  value="324.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9563E+07" />
+  <B value="-0.79988" />
+  <C value="3.8907" />
+  <D value="-4.9768" />
+  <E value="2.2266" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10811" />
+  <B value="1080.6" />
+  <C value="-9.6311" />
+  <D value="0.047728" />
+  <E value="-0.000091003" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="158" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-53340" />
+  <B value="265.92" />
+  <C value="4.243" />
+  <D value="0.058092" />
+  <E value="-0.00013923" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="188.13" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29096.99" />
+  <B value="-1271.123" />
+  <C value="6.610209" />
+  <D value="0.00378635" />
+  <E value="-0.0000013094" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="1600" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.041738" />
+  <B value="-31.981" />
+  <C value="-2.0074" />
+  <D value="-28.378" />
+  <E value="43.867" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="1622.33" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-196.43" />
+  <B value="5474.4" />
+  <C value="31.068" />
+  <D value="-0.000094243" />
+  <E value="2" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="318.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1969E-07" />
+  <B value="0.66444" />
+  <C value="177.83" />
+  <D value="-3965.9" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.4993" />
+  <B value="-113.3" />
+  <C value="0.99185" />
+  <D value="-0.0023549" />
+  <E value="-0.0000033612" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="323.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0017816" />
+  <B value="0.5013" />
+  <C value="331.03" />
+  <D value="3750.8" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="700" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056361" />
+  <B value="317.9" />
+  <C value="-7.6858" />
+  <D value="0.026562" />
+  <E value="-0.00006761" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="324.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29475.76" />
+  <B value="-3.761741" />
+  <C value="0.00844854" />
+  <D value="-2.58231E-06" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.410371" />
+  <B value="-2300" />
+  <C value="-13.8" />
+  <Tmin units="K"  value="281.9278" />
+  <Tmax units="K"  value="451.9278" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.854" />
+  <B value="1925.3" />
+  <C value="-1.5518" />
+  <Tmin units="K"  value="196.58" />
+  <Tmax units="K"  value="290.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3436" />
+  <B value="-0.038305" />
+  <C value="0.000048386" />
+  <Tmin units="K"  value="158.97" />
+  <Tmax units="K"  value="318.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.11545" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.36E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="23.31" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.35497" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0125" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.854783" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1254" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.030563" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.056032" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.1" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.3766" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.121" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22003.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.030563" />
+<Umr name="UMR" >
+  <group id="218"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7647-01-0" />
+<Smiles name="SMILES"  value="Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="918" />
+<CompoundID name="Name"  value="Chlorine" />
+<StructureFormula name="Structure"  value="Cl2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="417" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.124" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="239.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="172.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1366.04" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.905" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04536" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.073" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.7E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0241" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.81E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="222972" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6406000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.55192" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.476" />
+  <B value="-4.0445E-09" />
+  <Tmin units="K"  value="113.15" />
+  <Tmax units="K"  value="122.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8293" />
+  <B value="0.25" />
+  <C value="417.16" />
+  <D value="0.26753" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="45.776" />
+  <B value="-3292.7" />
+  <C value="-3.7926" />
+  <D value="0.0000049863" />
+  <E value="2" />
+  <Tmin units="K"  value="169.02" />
+  <Tmax units="K"  value="417.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.9601E+07" />
+  <B value="0.77334" />
+  <C value="-1.0279" />
+  <D value="0.93368" />
+  <E value="-0.2926" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="416.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22198" />
+  <B value="1876.1" />
+  <C value="-22.303" />
+  <D value="0.12569" />
+  <E value="-0.00025585" />
+  <Tmin units="K"  value="19.81" />
+  <Tmax units="K"  value="164.99" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66547" />
+  <B value="12488" />
+  <C value="-246.3" />
+  <D value="-2.7266" />
+  <E value="-0.021518" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="239.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28958" />
+  <B value="-398.03" />
+  <C value="10.125" />
+  <D value="-0.0010681" />
+  <E value="3.8414E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.069476" />
+  <B value="-70.479" />
+  <C value="-4.3328" />
+  <D value="1090.9" />
+  <E value="-2256.3" />
+  <Tmin units="K"  value="208.6" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.351" />
+  <B value="502.6" />
+  <C value="0.30506" />
+  <D value="-9.5237E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="333.72" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5899E-07" />
+  <B value="0.74273" />
+  <C value="97.463" />
+  <D value="-22.488" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.48743" />
+  <B value="13.229" />
+  <C value="-0.49371" />
+  <D value="0.00052989" />
+  <E value="-0.0000020491" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="410" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00096588" />
+  <B value="0.54995" />
+  <C value="434.26" />
+  <D value="3605.9" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.082803" />
+  <B value="-1.889" />
+  <C value="-1.8585" />
+  <D value="-0.0013422" />
+  <E value="-4.1394E-07" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="404.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25409" />
+  <B value="44.655" />
+  <C value="-0.067331" />
+  <D value="0.000047334" />
+  <E value="-1.2685E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.434" />
+  <B value="2268.7" />
+  <C value="-9.9047" />
+  <Tmin units="K"  value="255.79" />
+  <Tmax units="K"  value="374.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8294" />
+  <B value="-0.023375" />
+  <C value="0.000031235" />
+  <Tmin units="K"  value="172.12" />
+  <Tmax units="K"  value="333.72" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13457" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.380459E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.0039" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="38.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01934" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.41956" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0821999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0455063" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5887" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.524" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59414" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0547" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20120" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0455063" />
+<Umr name="UMR" >
+  <group id="207"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-50-5" />
+<Smiles name="SMILES"  value="ClCl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1907" />
+<CompoundID name="Name"  value="Hydrogen iodide" />
+<StructureFormula name="Structure"  value="HI" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="423.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.287" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="237.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="222.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="222.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="49326.4" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="127.912" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0507575" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.0380703" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.418E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02537" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.982E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.65E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1716000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="206481" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2872100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.55826" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.162E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.652" />
+  <B value="1.0295E-08" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="87.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.29008" />
+  <B value="0.10272" />
+  <C value="423.85" />
+  <D value="0.12802" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="422" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.208" />
+  <B value="-3309.5" />
+  <C value="-4.2202" />
+  <D value="0.0000058868" />
+  <E value="2" />
+  <Tmin units="K"  value="217.95" />
+  <Tmax units="K"  value="423.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5057E+07" />
+  <B value="2.4036" />
+  <C value="-3.4166" />
+  <D value="1.5877" />
+  <E value="-0.0027034" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="416.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="12463" />
+  <B value="747.87" />
+  <C value="-6.2562" />
+  <D value="0.02194" />
+  <E value="-0.000024523" />
+  <Tmin units="K"  value="100.69" />
+  <Tmax units="K"  value="218" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47228" />
+  <B value="657.18" />
+  <C value="2.2493" />
+  <D value="0.031778" />
+  <E value="-0.000056365" />
+  <Tmin units="K"  value="222.37" />
+  <Tmax units="K"  value="237.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29070.86" />
+  <B value="-1600.955" />
+  <C value="9.445762" />
+  <D value="0.000914155" />
+  <E value="-4.506661E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.449" />
+  <B value="-959.41" />
+  <C value="4.2445" />
+  <D value="-0.000095025" />
+  <E value="2" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="242.89" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6146E-07" />
+  <B value="0.8587" />
+  <C value="45.387" />
+  <D value="-1595.3" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="650" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.2841" />
+  <B value="21.17" />
+  <C value="-1.299" />
+  <D value="0.00096857" />
+  <E value="-0.0000020056" />
+  <Tmin units="K"  value="225.19" />
+  <Tmax units="K"  value="420.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042343" />
+  <B value="0.89806" />
+  <C value="44.783" />
+  <D value="-39.662" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.05247" />
+  <B value="5.663" />
+  <C value="-2.1706" />
+  <D value="-0.0013606" />
+  <E value="-0.0000012045" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="413.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29521" />
+  <B value="-4.9613" />
+  <C value="0.013867" />
+  <D value="-0.0000053438" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.158041" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="276.3722" />
+  <Tmax units="K"  value="446.3722" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.903" />
+  <B value="1993.1" />
+  <C value="-25.784" />
+  <Tmin units="K"  value="256.02" />
+  <Tmax units="K"  value="381.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-16.715" />
+  <B value="0.095325" />
+  <C value="-0.0002226" />
+  <Tmin units="K"  value="222.38" />
+  <Tmax units="K"  value="242.89" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13492" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.13E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="32.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.54382" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0359999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0457176" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.6724" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.5928" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0380703" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19866.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0457176" />
+<Umr name="UMR" >
+  <group id="220"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="10034-85-2" />
+<Smiles name="SMILES"  value="I" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="902" />
+<CompoundID name="Name"  value="Hydrogen" />
+<StructureFormula name="Structure"  value="H2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="33.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1313000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.064147" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.305" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="20.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="13.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="13.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7220" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="2.01588" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0285681" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.215993" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.708E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="6648" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.00632" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.43E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="130571" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="117100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.1252" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4182E+08" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.9613" />
+  <B value="0.25981" />
+  <C value="33.19" />
+  <D value="0.19104" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33.18" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="13.05" />
+  <B value="-97.534" />
+  <C value="1.0355" />
+  <D value="0.00031816" />
+  <E value="2" />
+  <Tmin units="K"  value="13.08" />
+  <Tmax units="K"  value="33.19" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1534700" />
+  <B value="3.214" />
+  <C value="-8.4567" />
+  <D value="8.4646" />
+  <E value="-2.8057" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="32.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5730" />
+  <B value="-1.3847E-11" />
+  <C value="1.1605E-12" />
+  <D value="-1.2321E-13" />
+  <E value="4.114E-15" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="23.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="14510" />
+  <B value="-1191.1" />
+  <C value="156.51" />
+  <D value="-6.1773" />
+  <E value="0.087907" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="32" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="3994.325" />
+  <B value="-48.69006" />
+  <C value="10.36209" />
+  <D value="-0.000340144" />
+  <E value="1.960333E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.02413" />
+  <B value="-2.768" />
+  <C value="-0.00051788" />
+  <D value="2.2059E-07" />
+  <E value="-3.1197E-08" />
+  <Tmin units="K"  value="16.6" />
+  <Tmax units="K"  value="431.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-32.531" />
+  <B value="97.304" />
+  <C value="5.9178" />
+  <D value="-0.0031563" />
+  <E value="2" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7916E-07" />
+  <B value="0.68557" />
+  <C value="-0.51413" />
+  <D value="132.61" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.34238" />
+  <B value="-4.3002" />
+  <C value="-0.53814" />
+  <D value="0.0011639" />
+  <E value="-0.00021792" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="31" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0026851" />
+  <B value="0.74366" />
+  <C value="13.289" />
+  <D value="-31.305" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003232" />
+  <B value="1.9865" />
+  <C value="-5.0915" />
+  <D value="-0.00046122" />
+  <E value="-0.00062971" />
+  <Tmin units="K"  value="13.95" />
+  <Tmax units="K"  value="32.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="5" />
+  <A value="23052.64" />
+  <B value="33.74914" />
+  <C value="-0.0639907" />
+  <D value="0.000051023" />
+  <E value="-1.37699E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000284" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="18.072" />
+  <B value="137.26" />
+  <C value="0.53751" />
+  <Tmin units="K"  value="20.03" />
+  <Tmax units="K"  value="29.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-9.6512" />
+  <B value="-0.067852" />
+  <C value="-0.0003859" />
+  <Tmin units="K"  value="13.84" />
+  <Tmax units="K"  value="33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.06424" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.105589E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="30.15782" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.3139" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="6.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0061" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.0698591" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.2324" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0285681" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.4092" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.5516" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.025891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="6647.875" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.031" />
+<GCmethod name="PPR78" >
+  <group id="16"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="205"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="1333-74-0" />
+<Smiles name="SMILES"  value="[H][H]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1921" />
+<CompoundID name="Name"  value="Water" />
+<StructureFormula name="Structure"  value="HOH" />
+<Family name="Family"  value="84" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="647.14" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2.2064E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.05595" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="373.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="273.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="273.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="611.73" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="18.015" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.01807" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.344" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.15E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="47860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01237" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.26E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.41814E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.2859E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="188724" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6001740" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0783" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="52.967" />
+  <B value="-0.0075822" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="273.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="106" />
+  <A value="32.51621" />
+  <B value="-3.213004" />
+  <C value="7.92411" />
+  <D value="-7.359898" />
+  <E value="2.703522" />
+  <Tmin units="K"  value="253.1" />
+  <Tmax units="K"  value="647.29" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.55502" />
+  <B value="-7295.586" />
+  <C value="-7.442448" />
+  <D value="0.0000042881" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="647.29" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.964E+07" />
+  <B value="0.86515" />
+  <C value="-1.1134" />
+  <D value="0.67764" />
+  <E value="-0.026925" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="647.28" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-262.51" />
+  <B value="140.52" />
+  <C value="-0.0000038869" />
+  <D value="-1.1996E-08" />
+  <E value="7.1879E-11" />
+  <Tmin units="K"  value="3.15" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75539" />
+  <B value="-22297" />
+  <C value="136.02" />
+  <D value="-0.25622" />
+  <E value="0.00018273" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33200" />
+  <B value="-878.9001" />
+  <C value="8.436956" />
+  <D value="0.00207627" />
+  <E value="-6.467085E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1600" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.01973" />
+  <B value="-22.635" />
+  <C value="-18.029" />
+  <D value="-2747" />
+  <E value="498.58" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-133.7" />
+  <B value="6785.7" />
+  <C value="18.47" />
+  <D value="-0.000014736" />
+  <E value="2" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="647.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.002327E-08" />
+  <B value="0.934576" />
+  <C value="195.6338" />
+  <D value="-13045.99" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1073.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-1.5697" />
+  <B value="-55.141" />
+  <C value="0.7832" />
+  <D value="0.0011484" />
+  <E value="-0.0000018151" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000065986" />
+  <B value="1.3947" />
+  <C value="59.478" />
+  <D value="-15484" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1073.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031819" />
+  <B value="167.09" />
+  <C value="-3.6781" />
+  <D value="0.0053717" />
+  <E value="-0.0000084188" />
+  <Tmin units="K"  value="265.1" />
+  <Tmax units="K"  value="647.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33444.62" />
+  <B value="-5.799206" />
+  <C value="0.0251681" />
+  <D value="-0.0000143103" />
+  <E value="2.76249E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="1.78042" />
+  <B value="28066.24" />
+  <C value="-0.635922" />
+  <D value="-0.0472309" />
+  <E value="1" />
+  <Tmin units="K"  value="238" />
+  <Tmax units="K"  value="635" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.401" />
+  <B value="3987.3" />
+  <C value="-37.161" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.886" />
+  <B value="-0.026811" />
+  <C value="0.000020554" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="647.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.04357" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.52E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="775" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2338" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="13.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58321" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00926" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.997986" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.65445" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0180674" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.92" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.4" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.243997" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.201789" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.54619" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.328" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="47812.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0180674" />
+<UnifacVLE name="UNIFAC" >
+  <group id="17"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="17"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="14"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="17"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="17"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="16"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7732-18-5" />
+<Smiles name="SMILES"  value="O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1922" />
+<CompoundID name="Name"  value="Hydrogen sulfide" />
+<StructureFormula name="Structure"  value="HSH" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="373.53" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8962910" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0985" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.284" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="212.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.68" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="23200" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="34.0809" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0438045" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.0941677" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.384E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01872" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.10256E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.063E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.344E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="205600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2376500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.71153" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.18E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="35.215" />
+  <B value="-8.5522E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3565" />
+  <B value="0.25354" />
+  <C value="373.53" />
+  <D value="0.26514" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="373.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.34868" />
+  <B value="-3078.428" />
+  <C value="-4.229632" />
+  <D value="6.844234E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.19" />
+  <Tmax units="K"  value="373.56" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7198E+07" />
+  <B value="0.69517" />
+  <C value="-0.69951" />
+  <D value="0.51422" />
+  <E value="-0.11694" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="363.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14680" />
+  <B value="1308" />
+  <C value="-20.353" />
+  <D value="0.18038" />
+  <E value="-0.00052695" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="130" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68743" />
+  <B value="-100800" />
+  <C value="1016.4" />
+  <D value="-3.3645" />
+  <E value="0.0037533" />
+  <Tmin units="K"  value="187.67" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33121.9" />
+  <B value="-869.6079" />
+  <C value="9.605736" />
+  <D value="0.00110059" />
+  <E value="-3.859399E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.053996" />
+  <B value="-21.785" />
+  <C value="-7.6379" />
+  <D value="493.56" />
+  <E value="-1758.3" />
+  <Tmin units="K"  value="261.24" />
+  <Tmax units="K"  value="1866" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="7.527" />
+  <B value="261.77" />
+  <C value="-3.1833" />
+  <D value="0.0000078743" />
+  <E value="2" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4328E-08" />
+  <B value="1.0455" />
+  <C value="58.912" />
+  <D value="-13329" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="573.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078369" />
+  <B value="-33.634" />
+  <C value="-0.24641" />
+  <D value="-0.0025463" />
+  <E value="-0.0000049089" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="292.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.0611E-07" />
+  <B value="1.8773" />
+  <C value="-355.78" />
+  <D value="45782" />
+  <Tmin units="K"  value="212.8" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.006184" />
+  <B value="258.76" />
+  <C value="-6.4137" />
+  <D value="0.016755" />
+  <E value="-0.000040713" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="363.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31940" />
+  <B value="1.436" />
+  <C value="0.02432" />
+  <D value="-0.00001176" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1400" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.158329" />
+  <B value="-2900" />
+  <C value="-17.4" />
+  <Tmin units="K"  value="263.0389" />
+  <Tmax units="K"  value="433.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.576" />
+  <B value="2013.6" />
+  <C value="-12.348" />
+  <Tmin units="K"  value="224.47" />
+  <Tmax units="K"  value="334.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.3152" />
+  <B value="-0.036018" />
+  <C value="0.00004512" />
+  <Tmin units="K"  value="187.68" />
+  <Tmax units="K"  value="350" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0995289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.49E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="343" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.285" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="27.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77777" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0143" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.788408" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0941677" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0358604" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.234" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.241" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010699" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.84234" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0941677" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18000.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0358604" />
+<GCmethod name="PPR78" >
+  <group id="14"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="222"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7783-06-4" />
+<Smiles name="SMILES"  value="S " />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1911" />
+<CompoundID name="Name"  value="Ammonia" />
+<StructureFormula name="Structure"  value="NH3" />
+<Family name="Family"  value="78" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="405.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.1353E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07247" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="239.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195.41" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195.41" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6111.09" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="17.031" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02496" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.256" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.533E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0138" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.5898E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.64E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="192660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5657000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8625" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1683E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="47.973" />
+  <B value="-1.0295E-08" />
+  <Tmin units="K"  value="194.15" />
+  <Tmax units="K"  value="203.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="4.0518" />
+  <B value="0.27129" />
+  <C value="405.4" />
+  <D value="0.31349" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="405.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.8849" />
+  <B value="-4136.862" />
+  <C value="-6.320663" />
+  <D value="9.203947E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="191.24" />
+  <Tmax units="K"  value="406.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.4542E+07" />
+  <B value="-1.3178" />
+  <C value="4.7194" />
+  <D value="-5.4808" />
+  <E value="2.4196" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="403.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5983.8" />
+  <B value="380.66" />
+  <C value="-0.59542" />
+  <D value="-0.00029099" />
+  <E value="0.0000049048" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="190" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77659" />
+  <B value="-45330" />
+  <C value="445.74" />
+  <D value="-1.4197" />
+  <E value="0.0015508" />
+  <Tmin units="K"  value="195.45" />
+  <Tmax units="K"  value="401.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33239" />
+  <B value="-913.64" />
+  <C value="10.802" />
+  <D value="0.00021047" />
+  <E value="-4.1739E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.022146" />
+  <B value="-24.138" />
+  <C value="-4.7806" />
+  <D value="-283.84" />
+  <E value="438.72" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="700" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-39.742" />
+  <B value="1486.5" />
+  <C value="4.7749" />
+  <D value="-0.000015796" />
+  <E value="2" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000000459" />
+  <B value="0.96936" />
+  <C value="48.366" />
+  <D value="-2671.4" />
+  <Tmin units="K"  value="194.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.95309" />
+  <B value="14.684" />
+  <C value="0.56768" />
+  <D value="-0.00028968" />
+  <E value="-0.0000019238" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="400.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016165" />
+  <B value="1.3146" />
+  <C value="75.168" />
+  <D value="-8202.1" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="900" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01195" />
+  <B value="209.99" />
+  <C value="-5.1813" />
+  <D value="0.011762" />
+  <E value="-0.000027715" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="405.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35237" />
+  <B value="-35.045" />
+  <C value="0.1697" />
+  <D value="-0.00017677" />
+  <E value="6.3273E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4.496581" />
+  <B value="-2921.581" />
+  <C value="-67.15132" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="405" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.41" />
+  <B value="2389.4" />
+  <C value="-20.094" />
+  <Tmin units="K"  value="245.37" />
+  <Tmax units="K"  value="363.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4864" />
+  <B value="-0.018932" />
+  <C value="0.000013325" />
+  <Tmin units="K"  value="195.41" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.07011" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.15E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="358" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="20.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15459" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0108" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.616067" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26199" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0249801" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9097" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.98" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.975515" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.087598" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.78649" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2517" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29224.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0249801" />
+<Umr name="UMR" >
+  <group id="223"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7664-41-7" />
+<Smiles name="SMILES"  value="N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="919" />
+<CompoundID name="Name"  value="Neon" />
+<StructureFormula name="Structure"  value="Ne" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="44.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2653000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0417" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.3" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="27.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="24.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="24.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="43300" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="20.1797" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0167622" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.0395988" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="9440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01033" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.94E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="146219" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="328100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.41453" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="74.691" />
+  <B value="-2.7704E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="7.3718" />
+  <B value="0.3067" />
+  <C value="44.4" />
+  <D value="0.2786" />
+  <Tmin units="K"  value="24.56" />
+  <Tmax units="K"  value="44.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="29.459" />
+  <B value="-269.41" />
+  <C value="-2.5349" />
+  <D value="0.00051726" />
+  <E value="2" />
+  <Tmin units="K"  value="23.45" />
+  <Tmax units="K"  value="44.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1420900" />
+  <B value="-0.63029" />
+  <C value="-0.0022325" />
+  <D value="1.6268" />
+  <E value="-0.7611" />
+  <Tmin units="K"  value="24.54" />
+  <Tmax units="K"  value="44" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29948" />
+  <B value="-243.96" />
+  <C value="32.083" />
+  <D value="-0.79445" />
+  <E value="0.01023" />
+  <Tmin units="K"  value="24.56" />
+  <Tmax units="K"  value="40" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="-1728.5" />
+  <C value="-21.855" />
+  <D value="0.0020512" />
+  <E value="2.1139E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.015332" />
+  <B value="-1.1833" />
+  <C value="-0.0082949" />
+  <D value="0.0010901" />
+  <E value="-0.00047018" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1332" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.002" />
+  <B value="434.94" />
+  <C value="18.35" />
+  <D value="-0.0034996" />
+  <E value="2" />
+  <Tmin units="K"  value="25.09" />
+  <Tmax units="K"  value="44.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.6731E-07" />
+  <B value="0.65634" />
+  <C value="5.8941" />
+  <D value="175.84" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.49811" />
+  <B value="-1.8025" />
+  <C value="-0.49257" />
+  <D value="0.0090166" />
+  <E value="-0.00024023" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011717" />
+  <B value="0.66099" />
+  <C value="12.109" />
+  <D value="-70.155" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013077" />
+  <B value="-9.4638" />
+  <C value="-2.5288" />
+  <D value="-0.052153" />
+  <E value="0.00036172" />
+  <Tmin units="K"  value="24" />
+  <Tmax units="K"  value="43.36" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20772.31" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000127" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="18.782" />
+  <B value="165.29" />
+  <C value="-4.297" />
+  <Tmin units="K"  value="26.65" />
+  <Tmax units="K"  value="39.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-7.0259" />
+  <B value="-0.062253" />
+  <C value="-0.00034802" />
+  <Tmin units="K"  value="25.09" />
+  <Tmax units="K"  value="44.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0551691" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.744173E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="38.01305" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="5.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00444" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.20168" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.0413762" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0167622" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.680949" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.776" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.0413762" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="9417.34" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0167622" />
+<Umr name="UMR" >
+  <group id="202"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-01-9" />
+<Smiles name="SMILES"  value="[Ne]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1903" />
+<CompoundID name="Name"  value="Nitric acid" />
+<StructureFormula name="Structure"  value="HNO3" />
+<Family name="Family"  value="77" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="520" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6890100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.145" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.231" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="60.7682" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="63.0128" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.041734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.714406" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.2491E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02486" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.91E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.343E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.401E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="266370" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.047E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.1998" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1.34E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="30.073" />
+  <B value="-1.103E-09" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="241.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="6.9293" />
+  <B value="0.47274" />
+  <C value="520" />
+  <D value="0.49837" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="26.654" />
+  <B value="-5017.1" />
+  <C value="-0.036699" />
+  <D value="-0.0000064771" />
+  <E value="2" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="376.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.01E+07" />
+  <B value="0.68707" />
+  <C value="-0.0019914" />
+  <D value="0.0028792" />
+  <E value="-0.0014403" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="359.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15807" />
+  <B value="1147" />
+  <C value="-8.2333" />
+  <D value="0.029082" />
+  <E value="-0.000034574" />
+  <Tmin units="K"  value="22.94" />
+  <Tmax units="K"  value="225.42" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111110" />
+  <B value="-611.57" />
+  <C value="-2.7202" />
+  <D value="0.014286" />
+  <E value="-0.000033905" />
+  <Tmin units="K"  value="238.57" />
+  <Tmax units="K"  value="302.89" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32639" />
+  <B value="-463.06" />
+  <C value="11.547" />
+  <D value="-0.00011018" />
+  <E value="4.1801E-09" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="264.29" />
+  <B value="-7985" />
+  <C value="-44.099" />
+  <D value="0.000074947" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="367.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2234E-07" />
+  <B value="0.72283" />
+  <C value="140.72" />
+  <D value="-0.0025913" />
+  <Tmin units="K"  value="231.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.15591" />
+  <B value="-186.43" />
+  <C value="-2.2714" />
+  <D value="0.0033214" />
+  <E value="-0.0000018932" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00063365" />
+  <B value="0.72057" />
+  <C value="645.24" />
+  <D value="0.005306" />
+  <Tmin units="K"  value="356.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.0024017" />
+  <B value="-360.8" />
+  <C value="0.85285" />
+  <D value="-0.011656" />
+  <E value="0.00000622" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="313.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17609.83" />
+  <B value="143.171" />
+  <C value="-0.0711401" />
+  <D value="0" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.093" />
+  <B value="3202.8" />
+  <C value="-52.952" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="376.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.56421" />
+  <B value="-0.038177" />
+  <C value="0.000041918" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="367.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13222" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.688965E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="173.748" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="25.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-5.603" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0241" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.52364" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.71438" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.041734" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.638761" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="8.661" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.714406" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29605.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.041734" />
+<CAS name="CAS number"  value="7697-37-2" />
+<Smiles name="SMILES"  value="ON(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="912" />
+<CompoundID name="Name"  value="Nitric oxide" />
+<StructureFormula name="Structure"  value="NO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="180" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.058" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="121.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="112.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="109.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21890" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.006" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02344" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.582" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.488E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0139" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.46487E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.025E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.657E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="210600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2301000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3447" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.02489E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="52.715" />
+  <B value="-0.013637" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="109.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.1354" />
+  <B value="0.19686" />
+  <C value="180.16" />
+  <D value="0.15443" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="180.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="98.67523" />
+  <B value="-3011.477" />
+  <C value="-13.21121" />
+  <D value="0.000072078" />
+  <E value="2" />
+  <Tmin units="K"  value="106.16" />
+  <Tmax units="K"  value="180.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.4721E+07" />
+  <B value="2.2365" />
+  <C value="-5.8672" />
+  <D value="6.8169" />
+  <E value="-2.7529" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="176.43" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38756" />
+  <B value="-323.94" />
+  <C value="15.685" />
+  <D value="-0.060412" />
+  <E value="0.00033434" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="150" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29831.89" />
+  <B value="-2622.96" />
+  <C value="12.94433" />
+  <D value="-0.00260975" />
+  <E value="6.261468E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.019784" />
+  <B value="-8.5287" />
+  <C value="-0.2596" />
+  <D value="0.022481" />
+  <E value="-0.1424" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="901.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-50.098" />
+  <B value="734.63" />
+  <C value="8.0267" />
+  <D value="-0.00017996" />
+  <E value="2" />
+  <Tmin units="K"  value="109.15" />
+  <Tmax units="K"  value="180.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010289" />
+  <B value="0.55954" />
+  <C value="89.353" />
+  <D value="515.43" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.85384" />
+  <B value="4.7868" />
+  <C value="-0.010049" />
+  <D value="0.0010454" />
+  <E value="-0.0000086044" />
+  <Tmin units="K"  value="81" />
+  <Tmax units="K"  value="176.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00046657" />
+  <B value="0.73353" />
+  <C value="58.917" />
+  <D value="-625.75" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="750" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0028436" />
+  <B value="551.06" />
+  <C value="-17.017" />
+  <D value="0.13002" />
+  <E value="-0.00047689" />
+  <Tmin units="K"  value="109.5" />
+  <Tmax units="K"  value="176.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37698" />
+  <B value="-63.556" />
+  <C value="0.17178" />
+  <D value="-0.00017926" />
+  <E value="6.7015E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.389" />
+  <B value="1041.3" />
+  <C value="-25.5" />
+  <Tmin units="K"  value="110.7" />
+  <Tmax units="K"  value="161.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.7207" />
+  <B value="0.0029181" />
+  <C value="-0.00012236" />
+  <Tmin units="K"  value="109.15" />
+  <Tmax units="K"  value="180.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0665" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.794133E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="81.09816" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="10.65" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00897" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.0713227" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5896" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0234267" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9163" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.9859" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.582944" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23117.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0234267" />
+<GCmethod name="PPR78" >
+  <group id="27"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="10102-43-9" />
+<Smiles name="SMILES"  value="[N]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="900" />
+<CompoundID name="Name"  value="Nitrogen dioxide" />
+<StructureFormula name="Structure"  value="ONO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="431.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.01325E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.08249" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="261.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="261.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18728.3" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.0055" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.031997" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.851088" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.431E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="33390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.05E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01598" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.827E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.318E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.1328E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="239920" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.465E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.21704" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.30954E+07" />
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.2179" />
+  <B value="0.22994" />
+  <C value="431.38" />
+  <D value="0.19006" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="431.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="18.404" />
+  <B value="-3508.6" />
+  <C value="0.81255" />
+  <D value="0.0000049983" />
+  <E value="2" />
+  <Tmin units="K"  value="252.77" />
+  <Tmax units="K"  value="431.37" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.37E+07" />
+  <B value="0.3" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="291.15" />
+  <Tmax units="K"  value="431.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="14.968" />
+  <B value="997.55" />
+  <C value="-5.6124" />
+  <D value="0.014033" />
+  <E value="-0.000013158" />
+  <Tmin units="K"  value="261.95" />
+  <Tmax units="K"  value="271.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77435" />
+  <B value="432.69" />
+  <C value="5.3737" />
+  <D value="0.020804" />
+  <E value="-0.000021695" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32962.96" />
+  <B value="-578.7755" />
+  <C value="10.44921" />
+  <D value="0.0000793322" />
+  <E value="-5.181036E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-311.49" />
+  <B value="10041" />
+  <C value="49.027" />
+  <D value="-0.00010518" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2078E-08" />
+  <B value="1.1399" />
+  <C value="-382.56" />
+  <D value="78187" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11611" />
+  <B value="127610" />
+  <C value="-1409.1" />
+  <D value="5.1777" />
+  <E value="-0.0063738" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.070851" />
+  <B value="-0.2143" />
+  <C value="-1258" />
+  <D value="429500" />
+  <Tmin units="K"  value="420" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.093346" />
+  <B value="-80.091" />
+  <C value="-1.095" />
+  <D value="-0.0026037" />
+  <E value="2.0771E-07" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="422.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29053.13" />
+  <B value="34.51315" />
+  <C value="-0.00987307" />
+  <D value="-7.237807E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="27.248" />
+  <B value="5290" />
+  <C value="42.102" />
+  <Tmin units="K"  value="264.04" />
+  <Tmax units="K"  value="386.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-8.1207" />
+  <B value="0.013877" />
+  <C value="-0.000042964" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0945914" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665358E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="148.6014" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.76" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.9491" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0129" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46976" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.86339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0317854" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.053395" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.1308" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.29742" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.851088" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="33494.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0317854" />
+<CAS name="CAS number"  value="10102-44-0" />
+<Smiles name="SMILES"  value="O=[N]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="905" />
+<CompoundID name="Name"  value="Nitrogen" />
+<StructureFormula name="Structure"  value="N2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="126.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3398000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0901" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.289" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="77.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="63.149" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="63.149" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="12520" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.014" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03484" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.037" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.471E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="9082" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0158" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="191500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="720000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.54268" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="37.87" />
+  <B value="-0.06027" />
+  <Tmin units="K"  value="20.65" />
+  <Tmax units="K"  value="63.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.435" />
+  <B value="0.25137" />
+  <C value="126.27" />
+  <D value="0.249" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.32946" />
+  <B value="-965.9771" />
+  <C value="-4.321774" />
+  <D value="0.0000797271" />
+  <E value="2" />
+  <Tmin units="K"  value="60.81" />
+  <Tmax units="K"  value="126.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7284E+07" />
+  <B value="7.8021" />
+  <C value="-19.125" />
+  <D value="19.518" />
+  <E value="-7.5428" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="383890" />
+  <B value="-28798" />
+  <C value="875.74" />
+  <D value="-11.589" />
+  <E value="0.057106" />
+  <Tmin units="K"  value="32.8" />
+  <Tmax units="K"  value="63" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55135" />
+  <B value="217.45" />
+  <C value="-0.9071" />
+  <D value="0.05327" />
+  <E value="0.00024166" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="115" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29103.63" />
+  <B value="-2305.946" />
+  <C value="11.31935" />
+  <D value="-0.00100557" />
+  <E value="1.706099E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043512" />
+  <B value="-13.524" />
+  <C value="-0.091223" />
+  <D value="0.10229" />
+  <E value="-0.078721" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="1400" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="3.4358" />
+  <B value="-24.706" />
+  <C value="-2.6748" />
+  <D value="-0.000041603" />
+  <E value="2" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="125" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6051E-07" />
+  <B value="0.65049" />
+  <C value="5.8019" />
+  <D value="2822.7" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="1970" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21743" />
+  <B value="10.383" />
+  <C value="-1.0631" />
+  <D value="0.00036245" />
+  <E value="-0.000023265" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="124" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003395" />
+  <B value="0.76921" />
+  <C value="19.592" />
+  <D value="293.93" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0025409" />
+  <B value="96.836" />
+  <C value="-7.6473" />
+  <D value="0.05313" />
+  <E value="-0.00036553" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="126.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29425" />
+  <B value="-2.1701" />
+  <C value="0.00058201" />
+  <D value="0.000013054" />
+  <E value="-8.2313E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.00058" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.455" />
+  <B value="682.85" />
+  <C value="-0.86615" />
+  <Tmin units="K"  value="76" />
+  <Tmax units="K"  value="112.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.5907" />
+  <B value="-0.045786" />
+  <C value="0.000062538" />
+  <Tmin units="K"  value="63.15" />
+  <Tmax units="K"  value="125" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0901499" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.710301E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="94.45061" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2906" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0107" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806374" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0357998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0346723" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.0415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.088" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011016" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.045" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="9081.94" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0346723" />
+<GCmethod name="PPR78" >
+  <group id="13"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="209"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7727-37-9" />
+<Smiles name="SMILES"  value="N#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="899" />
+<CompoundID name="Name"  value="Nitrous oxide" />
+<StructureFormula name="Structure"  value="NON" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="309.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7255000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.097" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="184.67" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="87850" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.013" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0359" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.162" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.537E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="8275" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0189" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.12637E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.205E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.0416E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="219850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6539000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.72733" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.20482E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="36.489" />
+  <B value="-3.8239E-08" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="87.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.0978" />
+  <B value="0.2338" />
+  <C value="309.6" />
+  <D value="0.25899" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="309.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.69662" />
+  <B value="-2836.473" />
+  <C value="-4.609937" />
+  <D value="7.237315E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="179.17" />
+  <Tmax units="K"  value="309.57" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.585559E+07" />
+  <B value="0.982629" />
+  <C value="-2.292314" />
+  <D value="3.369827" />
+  <E value="-1.65657" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="309.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15429" />
+  <B value="1311.3" />
+  <C value="-11.544" />
+  <D value="0.047904" />
+  <E value="-0.000064108" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72525" />
+  <B value="232.93" />
+  <C value="2.2666" />
+  <D value="0.037329" />
+  <E value="-0.000055304" />
+  <Tmin units="K"  value="182.3" />
+  <Tmax units="K"  value="200" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28650" />
+  <B value="-400.03" />
+  <C value="10.5" />
+  <D value="0.00014292" />
+  <E value="-6.728E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043828" />
+  <B value="-34.614" />
+  <C value="-1.5496" />
+  <D value="-7.0657" />
+  <E value="0.77444" />
+  <Tmin units="K"  value="154.79" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.876" />
+  <B value="472.99" />
+  <C value="0.14659" />
+  <D value="-0.000013815" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="283.09" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020512" />
+  <B value="0.47044" />
+  <C value="305.02" />
+  <D value="-521.81" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10112" />
+  <B value="-5274.1" />
+  <C value="16.778" />
+  <D value="-0.037729" />
+  <E value="-0.000048678" />
+  <Tmin units="K"  value="277.59" />
+  <Tmax units="K"  value="287.09" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.001121" />
+  <B value="0.66298" />
+  <C value="524.68" />
+  <D value="7332.7" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012364" />
+  <B value="-124.21" />
+  <C value="-1.4299" />
+  <D value="-0.0041148" />
+  <E value="-0.000013653" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="309.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26315" />
+  <B value="28.278" />
+  <C value="0.08223" />
+  <D value="-0.00015631" />
+  <E value="7.3999E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.613" />
+  <B value="1311.9" />
+  <C value="-40.474" />
+  <Tmin units="K"  value="187.55" />
+  <Tmax units="K"  value="276.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4961" />
+  <B value="-0.022349" />
+  <C value="0.000016718" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="283.09" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0979999" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.071681E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="188.7555" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="35.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64292" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0142" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81688" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1691" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.036002" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.238" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.2442" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.9128" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.140894" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20308" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.036002" />
+<CAS name="CAS number"  value="10024-97-2" />
+<Smiles name="SMILES"  value="[O-][N+]#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="901" />
+<CompoundID name="Name"  value="Oxygen" />
+<StructureFormula name="Structure"  value="O2" />
+<Family name="Family"  value="74" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="154.58" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5043000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.07337" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="90.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="54.361" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="54.361" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="150" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="31.999" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.022" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.8E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="8182" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.013" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.35E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="205043" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="444000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.51298" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="44.552" />
+  <B value="-4.4857E-08" />
+  <Tmin units="K"  value="20.65" />
+  <Tmax units="K"  value="30.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6097" />
+  <B value="0.23614" />
+  <C value="154.78" />
+  <D value="0.23695" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.77" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="40.55487" />
+  <B value="-1120.543" />
+  <C value="-3.776114" />
+  <D value="0.0000485344" />
+  <E value="2" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0672E+07" />
+  <B value="1.5661" />
+  <C value="-3.4356" />
+  <D value="3.5416" />
+  <E value="-1.2718" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="154.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15381" />
+  <B value="1601.9" />
+  <C value="-10.968" />
+  <D value="0.24187" />
+  <E value="-0.0020734" />
+  <Tmin units="K"  value="13.46" />
+  <Tmax units="K"  value="43.78" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53393" />
+  <B value="-1966.4" />
+  <C value="48.21" />
+  <D value="-0.31631" />
+  <E value="0.0010466" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="145" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29061.62" />
+  <B value="-1470.897" />
+  <C value="11.10778" />
+  <D value="-0.00128484" />
+  <E value="3.183122E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.039522" />
+  <B value="-15.729" />
+  <C value="-0.082121" />
+  <D value="0.012408" />
+  <E value="-0.0087531" />
+  <Tmin units="K"  value="77.29" />
+  <Tmax units="K"  value="1200" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.2319" />
+  <B value="116.13" />
+  <C value="-1.0315" />
+  <D value="0.0000034376" />
+  <E value="2" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0134E-07" />
+  <B value="0.60321" />
+  <C value="56.09" />
+  <D value="1584.9" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="1950" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19654" />
+  <B value="-10.535" />
+  <C value="-0.46717" />
+  <D value="-0.0052064" />
+  <E value="-3.3418E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="150" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0004508" />
+  <B value="0.74544" />
+  <C value="58.278" />
+  <D value="-562.62" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0062662" />
+  <B value="17.53" />
+  <C value="-3.9173" />
+  <D value="0.0058473" />
+  <E value="-0.000091613" />
+  <Tmin units="K"  value="54.35" />
+  <Tmax units="K"  value="154.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30182" />
+  <B value="-14.916" />
+  <C value="0.054709" />
+  <D value="-0.00004997" />
+  <E value="1.4883E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.000494" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.836" />
+  <B value="842.12" />
+  <C value="0.35556" />
+  <Tmin units="K"  value="92.87" />
+  <Tmax units="K"  value="138.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.5492" />
+  <B value="-0.061584" />
+  <C value="0.00019142" />
+  <Tmin units="K"  value="54.36" />
+  <Tmax units="K"  value="150" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0737899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.479206E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="114.2561" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2908" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="16.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00953" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.13768" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0297998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0280225" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.857" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.94" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.019" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="8181.93" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0280225" />
+<GCmethod name="PPR78" >
+  <group id="26"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="210"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-44-7" />
+<Smiles name="SMILES"  value="O=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="910" />
+<CompoundID name="Name"  value="Sulfur dioxide" />
+<StructureFormula name="Structure"  value="OSO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="430.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7884100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.122" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="263.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1674.39" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="64.0638" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04688" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245381" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02573" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.03E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.9684E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.0012E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="248100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7401000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86399" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="32.096" />
+  <B value="-0.018032" />
+  <Tmin units="K"  value="79.07" />
+  <Tmax units="K"  value="197.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8477" />
+  <B value="0.24254" />
+  <C value="430.75" />
+  <D value="0.27051" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.52766" />
+  <B value="-4260.124" />
+  <C value="-4.670429" />
+  <D value="0.0000030272" />
+  <E value="2" />
+  <Tmin units="K"  value="195.12" />
+  <Tmax units="K"  value="430.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8914E+07" />
+  <B value="1.8091" />
+  <C value="-2.9053" />
+  <D value="2.2271" />
+  <E value="-0.64793" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22618" />
+  <B value="1707.9" />
+  <C value="-16.235" />
+  <D value="0.074564" />
+  <E value="-0.00012295" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="197.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86911" />
+  <B value="53691" />
+  <C value="-599.94" />
+  <D value="2.2025" />
+  <E value="-0.0025885" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33406" />
+  <B value="-516.38" />
+  <C value="10.524" />
+  <D value="0.000013143" />
+  <E value="-6.1535E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.06722" />
+  <B value="-59.185" />
+  <C value="-7.1935" />
+  <D value="-46.116" />
+  <E value="-332.32" />
+  <Tmin units="K"  value="215.4" />
+  <Tmax units="K"  value="1723.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="50.887" />
+  <B value="-1574" />
+  <C value="-9.4517" />
+  <D value="1.5898E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012144" />
+  <B value="0.53923" />
+  <C value="315.41" />
+  <D value="-2659.7" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="1250" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21664" />
+  <B value="-2.2484" />
+  <C value="-0.50659" />
+  <D value="-0.0009424" />
+  <E value="-0.0000010218" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="23.316" />
+  <B value="-0.95324" />
+  <C value="-1567.4" />
+  <D value="1330100" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="900" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011604" />
+  <B value="175.94" />
+  <C value="-4.6965" />
+  <D value="0.008615" />
+  <E value="-0.000020963" />
+  <Tmin units="K"  value="197.67" />
+  <Tmax units="K"  value="430.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29454" />
+  <B value="40.762" />
+  <C value="-0.015859" />
+  <D value="0.0000004275" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.87311" />
+  <B value="-7500" />
+  <C value="-45" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.673" />
+  <B value="2268.2" />
+  <C value="-39.619" />
+  <Tmin units="K"  value="259.01" />
+  <Tmax units="K"  value="381.68" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.4294" />
+  <B value="-0.011984" />
+  <C value="-0.0000026289" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12522" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.04E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.8" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27539" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0181" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.39556" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.256" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0438228" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.6961" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1906" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2462" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12272.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0438228" />
+<GCmethod name="PPR78" >
+  <group id="25"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="216"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7446-09-5" />
+<Smiles name="SMILES"  value="O=[S]=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="911" />
+<CompoundID name="Name"  value="Sulfur trioxide" />
+<StructureFormula name="Structure"  value="SO3" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="490.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.127" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="317.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="289.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21130" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="80.0632" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0420954" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.42396" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.189E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="31130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03254" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93094E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.9572E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.7095E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="256510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7532000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1122" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1.422E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.604" />
+  <B value="2.2061E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="182.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.6186" />
+  <B value="0.20129" />
+  <C value="490.85" />
+  <D value="0.42123" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="490.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="351.6001" />
+  <B value="-18247.39" />
+  <C value="-49.77065" />
+  <D value="0.0000409297" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="490.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.1339E+07" />
+  <B value="0.77728" />
+  <C value="-0.42427" />
+  <D value="0.68287" />
+  <E value="-0.4608" />
+  <Tmin units="K"  value="289.94" />
+  <Tmax units="K"  value="490.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="136.4" />
+  <B value="10046" />
+  <C value="-51.148" />
+  <D value="0.11574" />
+  <E value="-0.000098203" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="299.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="258090" />
+  <B value="-3271.8" />
+  <C value="-8.4929" />
+  <D value="0.0035868" />
+  <E value="-0.000028801" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="312.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32986" />
+  <B value="-404.97" />
+  <C value="11.171" />
+  <D value="-0.000087925" />
+  <E value="-8.9809E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.085136" />
+  <B value="-80.336" />
+  <C value="-11.216" />
+  <D value="-300.69" />
+  <E value="-904.24" />
+  <Tmin units="K"  value="245.4" />
+  <Tmax units="K"  value="1785.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-260.71" />
+  <B value="11505" />
+  <C value="38.839" />
+  <D value="-0.000061621" />
+  <E value="2" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="329.14" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010033" />
+  <B value="0.54515" />
+  <C value="135.63" />
+  <D value="19402" />
+  <Tmin units="K"  value="198.15" />
+  <Tmax units="K"  value="694.19" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.021077" />
+  <B value="585.52" />
+  <C value="-5.8227" />
+  <D value="0.016099" />
+  <E value="-0.000027318" />
+  <Tmin units="K"  value="282.51" />
+  <Tmax units="K"  value="481.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.1717" />
+  <B value="-0.2465" />
+  <C value="2002.7" />
+  <D value="1327100" />
+  <Tmin units="K"  value="317.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010614" />
+  <B value="342.37" />
+  <C value="-5.975" />
+  <D value="0.012246" />
+  <E value="-0.000021992" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="490.85" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24221" />
+  <B value="110.09" />
+  <C value="-0.076359" />
+  <D value="0.000018362" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.750077" />
+  <B value="-1800" />
+  <C value="-10.8" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.098" />
+  <B value="1473.6" />
+  <C value="-145.67" />
+  <Tmin units="K"  value="297.45" />
+  <Tmax units="K"  value="437.98" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="13.354" />
+  <B value="-0.096392" />
+  <C value="0.00010215" />
+  <Tmin units="K"  value="289.95" />
+  <Tmax units="K"  value="329.14" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12556" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.834275E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="234.1028" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.5483" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0183" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.88018" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42396" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0420954" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.145023" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.972376" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="14.303" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42396" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="31130" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0420954" />
+<CAS name="CAS number"  value="7446-11-9" />
+<Smiles name="SMILES"  value="O=S(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1521" />
+<CompoundID name="Name"  value="Chloroform" />
+<StructureFormula name="Structure"  value="CHCl3" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.24" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.296" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="334.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="68.1479" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="119.377" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08068" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.226" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.249E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0435" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.03E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.029E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.01E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80821" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.968" />
+  <B value="-0.0028604" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="209.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53556" />
+  <B value="0.18404" />
+  <C value="536.5" />
+  <D value="0.18541" />
+  <Tmin units="K"  value="209" />
+  <Tmax units="K"  value="535.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.91512" />
+  <B value="-6781.559" />
+  <C value="-11.93873" />
+  <D value="0.0000115883" />
+  <E value="2" />
+  <Tmin units="K"  value="207.15" />
+  <Tmax units="K"  value="536.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1382E+07" />
+  <B value="0.7027" />
+  <C value="0.36748" />
+  <D value="-1.351" />
+  <E value="0.69236" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="536.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="92520" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93132" />
+  <B value="645.44" />
+  <C value="2.3739" />
+  <D value="0.024457" />
+  <E value="-0.000021097" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36659" />
+  <B value="-308.1" />
+  <C value="11.299" />
+  <D value="0.00003137" />
+  <E value="-3.3538E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13849" />
+  <B value="-177.09" />
+  <C value="-16.939" />
+  <D value="-624.1" />
+  <E value="-99.389" />
+  <Tmin units="K"  value="252" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.923" />
+  <B value="1248.9" />
+  <C value="1.655" />
+  <D value="-0.0000024787" />
+  <E value="2" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="353.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8024E-07" />
+  <B value="0.76204" />
+  <C value="109.36" />
+  <D value="-1373.9" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061417" />
+  <B value="-66.692" />
+  <C value="-1.6802" />
+  <D value="-0.001962" />
+  <E value="-0.0000044192" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00041167" />
+  <B value="0.84476" />
+  <C value="1870.6" />
+  <D value="-7829.5" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012805" />
+  <B value="80.496" />
+  <C value="-3.4786" />
+  <D value="0.0022559" />
+  <E value="-0.0000078228" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="536.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="19863" />
+  <B value="217.99" />
+  <C value="-0.26149" />
+  <D value="0.0001544" />
+  <E value="-3.517E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.214982" />
+  <B value="-2750" />
+  <C value="-16.5" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.534" />
+  <B value="3077.4" />
+  <C value="-26.818" />
+  <Tmin units="K"  value="322.04" />
+  <Tmax units="K"  value="480.55" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.33836" />
+  <B value="-0.03791" />
+  <C value="0.000046198" />
+  <Tmin units="K"  value="209.63" />
+  <Tmax units="K"  value="353.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22663" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.31E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="355" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="81.21" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02138" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0326" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.49815" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21796" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0805048" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.34" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.34" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.0529" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2059" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18919.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0805048" />
+<UnifacVLE name="UNIFAC" >
+  <group id="51"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="37"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="39"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="51"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="51"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="50"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-66-3" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1771" />
+<CompoundID name="Name"  value="Hydrogen cyanide" />
+<StructureFormula name="Structure"  value="HCN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="456.65" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5390000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.139" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.197" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="298.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="259.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="259.833" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18625" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="27.0253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0397695" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.409913" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.539E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01813" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.0245E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.35143E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.24725E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="201719" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8405700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.62716" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2329E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="38.186" />
+  <B value="-2.0999E-15" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3163" />
+  <B value="0.18425" />
+  <C value="456.65" />
+  <D value="0.2794" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="456.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="42.70101" />
+  <B value="-4001.496" />
+  <C value="-3.208729" />
+  <D value="5.620619E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="254.07" />
+  <Tmax units="K"  value="456.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5225E+07" />
+  <B value="2.0549" />
+  <C value="-4.7432" />
+  <D value="4.7996" />
+  <E value="-1.8366" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="456.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11133" />
+  <B value="756.41" />
+  <C value="-4.0631" />
+  <D value="0.010136" />
+  <E value="-0.0000055005" />
+  <Tmin units="K"  value="21.69" />
+  <Tmax units="K"  value="254.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70227" />
+  <B value="-10279" />
+  <C value="42.028" />
+  <D value="0.069085" />
+  <E value="-0.00024154" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29289" />
+  <B value="-482.84" />
+  <C value="10.404" />
+  <D value="-0.000041659" />
+  <E value="6.8553E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.056002" />
+  <B value="60.388" />
+  <C value="-41.174" />
+  <D value="14505" />
+  <E value="-43335" />
+  <Tmin units="K"  value="228.4" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.545" />
+  <B value="843.5" />
+  <C value="0.21344" />
+  <D value="-0.0000012673" />
+  <E value="2" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2749E-08" />
+  <B value="1.0633" />
+  <C value="338.59" />
+  <D value="155.3" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="425" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06901" />
+  <B value="-183.38" />
+  <C value="0.87895" />
+  <D value="-0.0078031" />
+  <E value="0.000002353" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015837" />
+  <B value="1.2055" />
+  <C value="-98.566" />
+  <D value="53091" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="673.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.058853" />
+  <B value="3.1548" />
+  <C value="-2.2488" />
+  <D value="-0.00076117" />
+  <E value="-0.000001168" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="456.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24466" />
+  <B value="45.315" />
+  <C value="-0.025383" />
+  <D value="0.0000059361" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="1.78" />
+  <B value="30000" />
+  <C value="-1" />
+  <D value="0" />
+  <E value="70" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.862" />
+  <B value="3439.7" />
+  <C value="4.5325" />
+  <Tmin units="K"  value="277.18" />
+  <Tmax units="K"  value="408.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.6579" />
+  <B value="-0.030475" />
+  <C value="0.000035226" />
+  <Tmin units="K"  value="259.83" />
+  <Tmax units="K"  value="298.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0964163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.790323E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="86.01517" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="22.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-5.00731" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0145" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.693958" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.409913" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0397695" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1951" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.2098" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="10.34189" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.409913" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24806" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0397695" />
+<Umr name="UMR" >
+  <group id="221"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="74-90-8" />
+<Smiles name="SMILES"  value="C#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1001" />
+<CompoundID name="Name"  value="Formaldehyde" />
+<StructureFormula name="Structure"  value="HCHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="408" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.115" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.223" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="254.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="887" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.026" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04097" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281846" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.215E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0186" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.086E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.026E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="218660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7050000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86009" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.268E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="39.262" />
+  <B value="-0.024084" />
+  <Tmin units="K"  value="72.46" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.9413" />
+  <B value="0.22308" />
+  <C value="408" />
+  <D value="0.28569" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.07923" />
+  <B value="-4207.675" />
+  <C value="-6.202287" />
+  <D value="5.521233E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="163.7" />
+  <Tmax units="K"  value="408" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0902E+07" />
+  <B value="0.29722" />
+  <C value="-0.051281" />
+  <D value="0.13234" />
+  <E value="-0.080686" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="39430" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62716" />
+  <B value="-69.453" />
+  <C value="3.2871" />
+  <D value="0.047782" />
+  <E value="-0.0001008" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="304" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33216.06" />
+  <B value="-1212.62" />
+  <C value="11.96032" />
+  <D value="-0.000635943" />
+  <E value="1.549232E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.084764" />
+  <B value="-73.106" />
+  <C value="-5.8267" />
+  <D value="281.42" />
+  <E value="-763.84" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.303" />
+  <B value="753.06" />
+  <C value="-0.013733" />
+  <D value="-4.6837E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="254.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1997E-07" />
+  <B value="0.57256" />
+  <C value="258.17" />
+  <D value="-5091" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10999" />
+  <B value="-161.62" />
+  <C value="0.83463" />
+  <D value="-0.01142" />
+  <E value="0.0000060772" />
+  <Tmin units="K"  value="204" />
+  <Tmax units="K"  value="234" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="44.841" />
+  <B value="-0.71285" />
+  <C value="-3466.2" />
+  <D value="5262100" />
+  <Tmin units="K"  value="254.05" />
+  <Tmax units="K"  value="994.05" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016101" />
+  <B value="136.53" />
+  <C value="-3.7004" />
+  <D value="0.0067657" />
+  <E value="-0.000021523" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="396.06" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="26385.98" />
+  <B value="18.47571" />
+  <C value="0.0478984" />
+  <D value="-0.000030852" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.331" />
+  <B value="2684.7" />
+  <C value="-5.509" />
+  <Tmin units="K"  value="244.9" />
+  <Tmax units="K"  value="360.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.78709" />
+  <B value="-0.049255" />
+  <C value="0.000075747" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="254.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.10819" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.493448E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="120.0801" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="26.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0168" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.752445" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26559" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0369129" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.9183" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.78" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23824.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0369129" />
+<UnifacVLE name="UNIFAC" >
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="21"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="26"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="50-00-0" />
+<Smiles name="SMILES"  value="C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1502" />
+<CompoundID name="Name"  value="Methyl chloride" />
+<StructureFormula name="Structure"  value="CH3Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="416.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.143" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="248.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="867.6" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="50.488" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05059" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.151" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.442E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17320" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02529" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.92E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.196E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.844E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="234180" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6548000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.72126" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.7538E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.768" />
+  <B value="-8.4567E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="182.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.6672" />
+  <B value="0.24865" />
+  <C value="416.26" />
+  <D value="0.26843" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="416.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.95113" />
+  <B value="-4332.347" />
+  <C value="-8.308415" />
+  <D value="0.0000132119" />
+  <E value="2" />
+  <Tmin units="K"  value="173.65" />
+  <Tmax units="K"  value="416.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0406E+07" />
+  <B value="0.41721" />
+  <C value="-0.045158" />
+  <D value="-0.067629" />
+  <E value="0.055437" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="403.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13360" />
+  <B value="1161" />
+  <C value="-7.5627" />
+  <D value="0.02419" />
+  <E value="-0.000020195" />
+  <Tmin units="K"  value="21.27" />
+  <Tmax units="K"  value="174.01" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72914" />
+  <B value="778.6" />
+  <C value="-9.5627" />
+  <D value="0.081286" />
+  <E value="-0.000092921" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32790.34" />
+  <B value="-743.4513" />
+  <C value="11.51178" />
+  <D value="-0.0000302967" />
+  <E value="1.138778E-09" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.093165" />
+  <B value="-83.56" />
+  <C value="-5.5445" />
+  <D value="-44.171" />
+  <E value="-96.437" />
+  <Tmin units="K"  value="208.12" />
+  <Tmax units="K"  value="1665" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-60.189" />
+  <B value="2252.1" />
+  <C value="8.022" />
+  <D value="-0.000019477" />
+  <E value="2" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5916E-08" />
+  <B value="0.87071" />
+  <C value="35.619" />
+  <D value="35.603" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="700" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22503" />
+  <B value="12.649" />
+  <C value="-0.64685" />
+  <D value="-0.0003032" />
+  <E value="-0.0000029812" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-22144" />
+  <B value="0.7661" />
+  <C value="-4.8548E+10" />
+  <D value="-3.7839E+10" />
+  <Tmin units="K"  value="213.15" />
+  <Tmax units="K"  value="750" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0076213" />
+  <B value="308.98" />
+  <C value="-6.5963" />
+  <D value="0.015546" />
+  <E value="-0.000032087" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="403.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29749" />
+  <B value="-14.55" />
+  <C value="0.25534" />
+  <D value="-0.0003088" />
+  <E value="1.1707E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-14.43039" />
+  <B value="-9354.477" />
+  <C value="95.04079" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="416" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.62" />
+  <B value="2413.2" />
+  <C value="-9.7185" />
+  <Tmin units="K"  value="250.13" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.7183" />
+  <B value="-0.027855" />
+  <C value="0.000026626" />
+  <Tmin units="K"  value="175.43" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13628" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.94E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="414" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="43.83" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.00835" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0197" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.915" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1472" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0501264" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.667106" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.568" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.20828" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.153068" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19719.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0501264" />
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="74-87-3" />
+<Smiles name="SMILES"  value="C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1681" />
+<CompoundID name="Name"  value="Methyl iodide" />
+<StructureFormula name="Structure"  value="CH3I" />
+<Family name="Family"  value="31" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="528" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7370000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.185" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.311" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="315.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="254.555" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="141.939" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.062667" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.19716" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03285" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.6E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.3E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.47E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="254000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.70016" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.096E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="22.404" />
+  <B value="-0.011982" />
+  <Tmin units="K"  value="82.68" />
+  <Tmax units="K"  value="206.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3975" />
+  <B value="0.25854" />
+  <C value="528" />
+  <D value="0.2679" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.57754" />
+  <B value="-4804.529" />
+  <C value="-5.238128" />
+  <D value="3.097144E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="204.8" />
+  <Tmax units="K"  value="528" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3737E+07" />
+  <B value="-0.25822" />
+  <C value="1.7219" />
+  <D value="-2.0034" />
+  <E value="0.83642" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="58860" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81227" />
+  <B value="-510450" />
+  <C value="4831.2" />
+  <D value="-15.234" />
+  <E value="0.016088" />
+  <Tmin units="K"  value="243.45" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33243" />
+  <B value="-588.89" />
+  <C value="11.23" />
+  <D value="0.00016737" />
+  <E value="-5.0885E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.091986" />
+  <B value="-122.96" />
+  <C value="-8.7523" />
+  <D value="-736.97" />
+  <E value="-492.42" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.0691" />
+  <B value="650.82" />
+  <C value="-0.30881" />
+  <D value="-1.1201E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.1469E-07" />
+  <B value="0.6322" />
+  <C value="292.39" />
+  <D value="-1664.7" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.025022" />
+  <B value="-2.7147" />
+  <C value="-2.1673" />
+  <D value="-0.0005511" />
+  <E value="-0.000004231" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.15913" />
+  <B value="0.010769" />
+  <C value="1577.4" />
+  <D value="2109400" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0089542" />
+  <B value="133.23" />
+  <C value="-3.9845" />
+  <D value="0.0046929" />
+  <E value="-0.000012515" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="528" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14904.66" />
+  <B value="117.0558" />
+  <C value="-0.0691448" />
+  <D value="0.0000175067" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.958672" />
+  <B value="-3550" />
+  <C value="-21.3" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.002" />
+  <B value="3357.9" />
+  <C value="5.1859" />
+  <Tmin units="K"  value="317.11" />
+  <Tmax units="K"  value="460.36" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7257" />
+  <B value="-0.031602" />
+  <C value="0.000039256" />
+  <Tmin units="K"  value="206.7" />
+  <Tmax units="K"  value="315.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.174097" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.318402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="514.6174" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="52.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.026" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.29293" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.192721" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.062667" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1651" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.84" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192721" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20172.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.062667" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="64"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="64"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="63"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-88-4" />
+<Smiles name="SMILES"  value="CI" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1" />
+<CompoundID name="Name"  value="Methane" />
+<StructureFormula name="Structure"  value="CH4" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="190.56" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4599000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0986" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="111.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="90.694" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="90.694" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="11696" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="16.043" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03554" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.011" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.118E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="11600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.01705" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.452E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.049E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="186270" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="941400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.49258" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.0262E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="33.457" />
+  <B value="-0.033547" />
+  <C value="-0.000155" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="90.69" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.894" />
+  <B value="0.23603" />
+  <C value="191.05" />
+  <D value="0.21974" />
+  <Tmin units="K"  value="90.68" />
+  <Tmax units="K"  value="191.04" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="39.98844" />
+  <B value="-1337.308" />
+  <C value="-3.580049" />
+  <D value="0.0000320698" />
+  <E value="2" />
+  <Tmin units="K"  value="83.65" />
+  <Tmax units="K"  value="191.03" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4418E+07" />
+  <B value="2.3055" />
+  <C value="-5.4199" />
+  <D value="5.658" />
+  <E value="-2.1286" />
+  <Tmin units="K"  value="90.67" />
+  <Tmax units="K"  value="190.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3039.8" />
+  <B value="1292.4" />
+  <C value="-15.448" />
+  <D value="0.082442" />
+  <E value="-0.000070636" />
+  <Tmin units="K"  value="22.85" />
+  <Tmax units="K"  value="90.67" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61157" />
+  <B value="5034.1" />
+  <C value="-48.913" />
+  <D value="-0.22998" />
+  <E value="0.0022243" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="190" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33151.9" />
+  <B value="-1220.001" />
+  <C value="12.0907" />
+  <D value="-0.000384791" />
+  <E value="9.896403E-08" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.051983" />
+  <B value="-25.636" />
+  <C value="-0.24722" />
+  <D value="0.42759" />
+  <E value="-0.39805" />
+  <Tmin units="K"  value="102" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-45.328" />
+  <B value="724.39" />
+  <C value="6.5917" />
+  <D value="-0.00010373" />
+  <E value="2" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="190" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.3432E-07" />
+  <B value="0.58831" />
+  <C value="114.58" />
+  <D value="-1338.5" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011567" />
+  <B value="-46.041" />
+  <C value="0.10435" />
+  <D value="-0.012133" />
+  <E value="-0.0000051716" />
+  <Tmin units="K"  value="90.69" />
+  <Tmax units="K"  value="180" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000074705" />
+  <B value="1.4432" />
+  <C value="-57.569" />
+  <D value="587.82" />
+  <Tmin units="K"  value="111.63" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040703" />
+  <B value="-6.9523" />
+  <C value="-2.3114" />
+  <D value="-0.0055565" />
+  <E value="0.0000057595" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="193.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37981" />
+  <B value="-74.622" />
+  <C value="0.3019" />
+  <D value="-0.00028327" />
+  <E value="9.0711E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.274133" />
+  <B value="-850" />
+  <C value="-5.1" />
+  <Tmin units="K"  value="80.81667" />
+  <Tmax units="K"  value="250.8167" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.701" />
+  <B value="1035" />
+  <C value="1.2704" />
+  <Tmin units="K"  value="114.61" />
+  <Tmax units="K"  value="170.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-6.4555" />
+  <B value="-0.023994" />
+  <C value="0.000010045" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="190" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.09939" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.871667E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="137.3608" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2876" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="25.14" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0129" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.299394" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0074" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0378392" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1239" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.152" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012223" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="11618.44" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0378392" />
+<GCmethod name="PPR78" >
+  <group id="5"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="224"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="74-82-8" />
+<Smiles name="SMILES"  value="C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1101" />
+<CompoundID name="Name"  value="Methanol" />
+<StructureFormula name="Structure"  value="CH3OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="512.64" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8097000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.224" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.47" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.47" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.111264" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="32.042" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04073" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.58E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0094E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.6232E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="239880" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3215000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4297" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.382E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="30.585" />
+  <B value="-2.2061E-08" />
+  <Tmin units="K"  value="163.15" />
+  <Tmax units="K"  value="172.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7918" />
+  <B value="0.23929" />
+  <C value="512.64" />
+  <D value="0.21078" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="503.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.40342" />
+  <B value="-6548.076" />
+  <C value="-7.409987" />
+  <D value="5.72492E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="512.64" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8058E+07" />
+  <B value="0.87168" />
+  <C value="-0.81501" />
+  <D value="0.1695" />
+  <E value="0.17846" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="513.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12206" />
+  <B value="921.15" />
+  <C value="-4.3764" />
+  <D value="0.0056638" />
+  <E value="0.000021471" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="157.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62799" />
+  <B value="1254.2" />
+  <C value="-5.9906" />
+  <D value="0.052937" />
+  <E value="-0.00004711" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36313.16" />
+  <B value="-680.4577" />
+  <C value="11.10203" />
+  <D value="0.000756766" />
+  <E value="-2.902645E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.027528" />
+  <B value="39.761" />
+  <C value="-31.725" />
+  <D value="22876" />
+  <E value="-87341" />
+  <Tmin units="K"  value="281.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-32.996" />
+  <B value="1981.4" />
+  <C value="3.3666" />
+  <D value="-0.0000039246" />
+  <E value="2" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="337.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0654E-07" />
+  <B value="0.69658" />
+  <C value="204.87" />
+  <D value="24.304" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.056817" />
+  <B value="13.156" />
+  <C value="-1.2214" />
+  <D value="-0.00028282" />
+  <E value="-0.0000010129" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="430" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="7.8368E-07" />
+  <B value="1.7569" />
+  <C value="108.12" />
+  <D value="-21101" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="684.37" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.094523" />
+  <B value="33.559" />
+  <C value="-2.3648" />
+  <D value="0.001011" />
+  <E value="-0.0000022169" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39194" />
+  <B value="-58.085" />
+  <C value="0.35012" />
+  <D value="-0.00036941" />
+  <E value="1.2763E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-22.6673" />
+  <B value="18938.42" />
+  <C value="-2.514938" />
+  <D value="0.0203925" />
+  <E value="0.976849" />
+  <Tmin units="K"  value="176" />
+  <Tmax units="K"  value="511" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.354" />
+  <B value="3555.3" />
+  <C value="-37.163" />
+  <Tmin units="K"  value="307.9" />
+  <Tmax units="K"  value="459.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="4.3964" />
+  <B value="-0.066775" />
+  <C value="0.00008964" />
+  <Tmin units="K"  value="175.47" />
+  <Tmax units="K"  value="337.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1198" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.69E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="417" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="31.25" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66558" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0185" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.794395" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5536" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0407027" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.43" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.43" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.96" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.828343" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.430885" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.12578" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.5589" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29546.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0407027" />
+<UnifacVLE name="UNIFAC" >
+  <group id="16"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="16"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="16"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="15"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-56-1" />
+<Smiles name="SMILES"  value="CO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1701" />
+<CompoundID name="Name"  value="Methylamine" />
+<StructureFormula name="Structure"  value="CH3NH2" />
+<Family name="Family"  value="34" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="430" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.125" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="179.69" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.69" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="176.712" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="31.057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.284" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.722E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02421" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.297E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.207E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6134000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89954" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.7508E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.369" />
+  <B value="-2.884E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.39" />
+  <B value="0.21405" />
+  <C value="430.05" />
+  <D value="0.2275" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.79969" />
+  <B value="-5067.174" />
+  <C value="-8.028002" />
+  <D value="7.988835E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.35" />
+  <Tmax units="K"  value="430.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6499E+07" />
+  <B value="1.6058" />
+  <C value="-3.2311" />
+  <D value="3.4082" />
+  <E value="-1.3345" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="416.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1635.5" />
+  <B value="-28.175" />
+  <C value="12.529" />
+  <D value="-0.11137" />
+  <E value="0.0002958" />
+  <Tmin units="K"  value="23.04" />
+  <Tmax units="K"  value="174.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90815" />
+  <B value="374.96" />
+  <C value="2.7431" />
+  <D value="0.031527" />
+  <E value="-0.000044978" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="266.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40540" />
+  <B value="-902.15" />
+  <C value="12.495" />
+  <D value="-0.00072761" />
+  <E value="0.0000002382" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.066821" />
+  <B value="-65.837" />
+  <C value="-8.5011" />
+  <D value="-94.417" />
+  <E value="-459.86" />
+  <Tmin units="K"  value="215" />
+  <Tmax units="K"  value="1720" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.645" />
+  <B value="448.12" />
+  <C value="-3.737" />
+  <D value="0.000017508" />
+  <E value="2" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="327.78" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4475E-07" />
+  <B value="0.58715" />
+  <C value="230.63" />
+  <D value="-2982.2" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.19876" />
+  <B value="9592" />
+  <C value="-137.2" />
+  <D value="0.62482" />
+  <E value="-0.00097954" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-51.979" />
+  <B value="1.0721" />
+  <C value="-4.4966E+08" />
+  <D value="4.2697E+09" />
+  <Tmin units="K"  value="266.82" />
+  <Tmax units="K"  value="650" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.020476" />
+  <B value="2.1889" />
+  <C value="-2.3303" />
+  <D value="-0.001444" />
+  <E value="-0.0000052886" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="416.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34863" />
+  <B value="-17.643" />
+  <C value="0.33582" />
+  <D value="-0.00039394" />
+  <E value="1.4559E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-14.41837" />
+  <B value="-9790.434" />
+  <C value="101.0628" />
+  <Tmin units="K"  value="198" />
+  <Tmax units="K"  value="430" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.666" />
+  <B value="2268.7" />
+  <C value="-43.059" />
+  <Tmin units="K"  value="258.75" />
+  <Tmax units="K"  value="379.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.21748" />
+  <B value="-0.052484" />
+  <C value="0.000076834" />
+  <Tmin units="K"  value="179.69" />
+  <Tmax units="K"  value="327.78" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.12229" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.719782E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="216.9006" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="31.99" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02871" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0179" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.667434" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2872" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0447131" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.544" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.44308" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.281272" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23116" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0447131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="29"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="29"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="29"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="28"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-89-5" />
+<Smiles name="SMILES"  value="CN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1541" />
+<CompoundID name="Name"  value="Trichloroethylene" />
+<StructureFormula name="Structure"  value="CHClCCl2" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4910000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.256" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="360.1" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.4" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.4" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.97868" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="131.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0901371" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.21662" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.742E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04958" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9620000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.606E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="325090" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75258" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.6411E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.727" />
+  <B value="-0.0092769" />
+  <Tmin units="K"  value="75.36" />
+  <Tmax units="K"  value="188.4" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0632" />
+  <B value="0.27217" />
+  <C value="571" />
+  <D value="0.2986" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="46.56173" />
+  <B value="-5021.974" />
+  <C value="-3.675161" />
+  <D value="4.330407E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.571591E+07" />
+  <B value="0.581727" />
+  <C value="-0.122707" />
+  <D value="-0.842037" />
+  <E value="0.831632" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="571" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="103410" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111110" />
+  <B value="1042.6" />
+  <C value="-3.1013" />
+  <D value="0.043029" />
+  <E value="-0.000040867" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="419.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56305" />
+  <B value="-500.68" />
+  <C value="11.893" />
+  <D value="-0.00053611" />
+  <E value="1.6998E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33837" />
+  <B value="-460.93" />
+  <C value="26.414" />
+  <D value="-44206" />
+  <E value="82630" />
+  <Tmin units="K"  value="285.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.947" />
+  <B value="1157.4" />
+  <C value="0.95533" />
+  <D value="0.0000012051" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="360.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5903E-07" />
+  <B value="0.76088" />
+  <C value="56.852" />
+  <D value="7589.2" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.079767" />
+  <B value="522.46" />
+  <C value="-9.4979" />
+  <D value="0.032021" />
+  <E value="-0.00005769" />
+  <Tmin units="K"  value="188.4" />
+  <Tmax units="K"  value="419.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00050539" />
+  <B value="0.6741" />
+  <C value="584.61" />
+  <D value="3177.4" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024347" />
+  <B value="-50.763" />
+  <C value="-1.8584" />
+  <D value="-0.0029088" />
+  <E value="-3.9892E-07" />
+  <Tmin units="K"  value="175.84" />
+  <Tmax units="K"  value="571" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29417.29" />
+  <B value="228.8481" />
+  <C value="-0.218112" />
+  <D value="0.0000777596" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1100" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.691856" />
+  <B value="-1700" />
+  <C value="-10.2" />
+  <Tmin units="K"  value="270.2611" />
+  <Tmax units="K"  value="440.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.353" />
+  <B value="3169.3" />
+  <C value="-37.488" />
+  <Tmin units="K"  value="343.15" />
+  <Tmax units="K"  value="510.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.81036" />
+  <B value="-0.035482" />
+  <C value="0.000043558" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="360.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.263551" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.831272E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="312.7767" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.55295" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0371" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2456" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0901371" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.31" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.86" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.1391" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2456" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18796.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0901371" />
+<UnifacVLE name="UNIFAC" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="32"  value="1" />
+  <group id="36"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  <group id="35"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="46"  value="1" />
+  <group id="50"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-01-6" />
+<Smiles name="SMILES"  value="C([Cl])=C([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1854" />
+<CompoundID name="Name"  value="Dichloroacetyl chloride" />
+<StructureFormula name="Structure"  value="CHCl2COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="585" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.283" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="380.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="27.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0969971" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.308927" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05458" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.61E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4033E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.915E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2647E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.9" />
+  <B value="-5.7788E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.94766" />
+  <B value="0.26857" />
+  <C value="585" />
+  <D value="0.28586" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.72886" />
+  <B value="-6808.875" />
+  <C value="-7.735182" />
+  <D value="4.475716E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.182114E+08" />
+  <B value="5.662305" />
+  <C value="-14.25375" />
+  <D value="15.19267" />
+  <E value="-6.032208" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140380" />
+  <B value="-122.15" />
+  <C value="7.1438" />
+  <D value="0.0089927" />
+  <E value="-3.0698E-07" />
+  <Tmin units="K"  value="292.5" />
+  <Tmax units="K"  value="438.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="54272" />
+  <B value="-346.01" />
+  <C value="11.744" />
+  <D value="-0.00014147" />
+  <E value="6.1056E-08" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1766" />
+  <B value="-214.27" />
+  <C value="-34.937" />
+  <D value="-11826" />
+  <E value="15252" />
+  <Tmin units="K"  value="292.5" />
+  <Tmax units="K"  value="1849.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.762" />
+  <B value="1691.3" />
+  <C value="-0.020172" />
+  <D value="2.8483E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4668E-07" />
+  <B value="0.7617" />
+  <C value="110.57" />
+  <D value="-0.0060267" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.045516" />
+  <B value="-168.82" />
+  <C value="-0.6335" />
+  <D value="-0.0052944" />
+  <E value="0.0000014358" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00049754" />
+  <B value="0.6638" />
+  <C value="622.43" />
+  <D value="-0.0085753" />
+  <Tmin units="K"  value="380.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011582" />
+  <B value="124.7" />
+  <C value="-3.6985" />
+  <D value="0.0034242" />
+  <E value="-0.0000087498" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="585" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="45446" />
+  <B value="201.42" />
+  <C value="-0.15256" />
+  <D value="0.000042512" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.845" />
+  <B value="3559.7" />
+  <C value="-36.056" />
+  <Tmin units="K"  value="360.79" />
+  <Tmax units="K"  value="515.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="5.3427" />
+  <B value="-0.057555" />
+  <C value="0.000063183" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="380.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.290781" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.948562E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.6986" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.5348" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.370509" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.097018" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.597891" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.044" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.370509" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19942.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.097018" />
+<CAS name="CAS number"  value="79-36-7" />
+<Smiles name="SMILES"  value="ClC(Cl)C(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4865" />
+<CompoundID name="Name"  value="Trichloroacetaldehyde" />
+<StructureFormula name="Structure"  value="CCl3CHO" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.133" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.388" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0983111" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.332334" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.649E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05519" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.83E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.97E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.48E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.72E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.036" />
+  <B value="-0.0072767" />
+  <Tmin units="K"  value="86.4" />
+  <Tmax units="K"  value="216" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.92352" />
+  <B value="0.2658" />
+  <C value="565" />
+  <D value="0.27915" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.1738" />
+  <B value="-7649.009" />
+  <C value="-12.42192" />
+  <D value="0.0000106892" />
+  <E value="2" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2611E+07" />
+  <B value="1.7765" />
+  <C value="-3.981" />
+  <D value="4.442" />
+  <E value="-1.8138" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141170" />
+  <B value="-5.956" />
+  <C value="6.555" />
+  <D value="0.014383" />
+  <E value="-0.000012896" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="422.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75534" />
+  <B value="-497.17" />
+  <C value="11.711" />
+  <D value="-0.00021306" />
+  <E value="5.7567E-08" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17202" />
+  <B value="-198.18" />
+  <C value="-54.361" />
+  <D value="1512" />
+  <E value="-47122" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.452" />
+  <B value="1500.4" />
+  <C value="0.62119" />
+  <D value="1.0267E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9624E-07" />
+  <B value="0.76217" />
+  <C value="181.59" />
+  <D value="-7289.4" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0058147" />
+  <B value="-49.103" />
+  <C value="-1.1431" />
+  <D value="-0.0024848" />
+  <E value="-2.7456E-08" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00037396" />
+  <B value="0.73494" />
+  <C value="540.31" />
+  <D value="2896.6" />
+  <Tmin units="K"  value="370.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010804" />
+  <B value="115.62" />
+  <C value="-3.806" />
+  <D value="0.0033787" />
+  <E value="-0.0000089296" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="565" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="51330" />
+  <B value="196.28" />
+  <C value="-0.15434" />
+  <D value="0.000045652" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.369" />
+  <B value="3131.8" />
+  <C value="-52.731" />
+  <Tmin units="K"  value="344.58" />
+  <Tmax units="K"  value="495.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.5668" />
+  <B value="-0.047882" />
+  <C value="0.00005446" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="370.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.294123" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.930245E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.033" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261398" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0408" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.515" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.332283" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0983111" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.638102" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.132" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.332283" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19153.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0983111" />
+<CAS name="CAS number"  value="75-87-6" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])([Cl])C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="401" />
+<CompoundID name="Name"  value="Acetylene" />
+<StructureFormula name="Structure"  value="HCCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="308.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6114000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1122" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="188.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.4" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.4" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="127445" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="26.038" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.439E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="7921" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0231" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.282E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.1068E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="200810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3770000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76366" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.257E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.036" />
+  <B value="-1.6913E-08" />
+  <Tmin units="K"  value="188.15" />
+  <Tmax units="K"  value="197.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.8265" />
+  <B value="0.29316" />
+  <C value="308.3" />
+  <D value="0.31711" />
+  <Tmin units="K"  value="189.54" />
+  <Tmax units="K"  value="307.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.22155" />
+  <B value="-3603.253" />
+  <C value="-10.0271" />
+  <D value="0.0000269397" />
+  <E value="2" />
+  <Tmin units="K"  value="187.75" />
+  <Tmax units="K"  value="308.33" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8817E+07" />
+  <B value="1.497" />
+  <C value="-1.0261" />
+  <D value="0.037348" />
+  <E value="-0.024401" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="308.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="36900" />
+  <Tmin units="K"  value="174" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79227" />
+  <B value="3177.2" />
+  <C value="-44.249" />
+  <D value="0.23814" />
+  <E value="-0.00030171" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="250" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28271.69" />
+  <B value="-404.2493" />
+  <C value="11.05572" />
+  <D value="-0.000229636" />
+  <E value="1.424209E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.032935" />
+  <B value="-6.0707" />
+  <C value="-4.922" />
+  <D value="119.69" />
+  <E value="-177.19" />
+  <Tmin units="K"  value="154.16" />
+  <Tmax units="K"  value="1541.65" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.822" />
+  <B value="283.23" />
+  <C value="0.22007" />
+  <D value="-0.0000091126" />
+  <E value="2" />
+  <Tmin units="K"  value="153.15" />
+  <Tmax units="K"  value="273.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010997" />
+  <B value="0.50414" />
+  <C value="259.72" />
+  <D value="2787.3" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.060328" />
+  <B value="-110.3" />
+  <C value="0.44567" />
+  <D value="-0.0073832" />
+  <E value="0.0000024581" />
+  <Tmin units="K"  value="192.4" />
+  <Tmax units="K"  value="250" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078096" />
+  <B value="1.0286" />
+  <C value="-36.515" />
+  <D value="33144" />
+  <Tmin units="K"  value="189.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0058288" />
+  <B value="469.57" />
+  <C value="-10.144" />
+  <D value="0.036848" />
+  <E value="-0.000083224" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="301.71" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20038" />
+  <B value="90.844" />
+  <C value="-0.021202" />
+  <D value="-0.000065684" />
+  <E value="4.3568E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.0217" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.46" />
+  <B value="1724.2" />
+  <C value="-14.702" />
+  <Tmin units="K"  value="192.59" />
+  <Tmax units="K"  value="273.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.8124" />
+  <B value="-0.017889" />
+  <C value="0.000019784" />
+  <Tmin units="K"  value="153.15" />
+  <Tmax units="K"  value="273.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16741" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.369994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="175.862" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2712" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="36.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.47883" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.417053" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20487" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0421382" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.39" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001831" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.4245" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1841" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18813" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0421382" />
+<UnifacVLE name="UNIFAC" >
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-86-2" />
+<Smiles name="SMILES"  value="C#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4868" />
+<CompoundID name="Name"  value="Dichloroacetaldehyde" />
+<StructureFormula name="Structure"  value="CHCl2CHO" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="555" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.239" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="30.4712" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.943" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0800261" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.343679" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.419E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0464" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.58E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.387E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="329000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.4E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.11E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.182" />
+  <B value="-0.0082192" />
+  <Tmin units="K"  value="89.2" />
+  <Tmax units="K"  value="223" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0695" />
+  <B value="0.25535" />
+  <C value="555" />
+  <D value="0.28663" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.61988" />
+  <B value="-7239.82" />
+  <C value="-10.19237" />
+  <D value="7.278159E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="555" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4311E+07" />
+  <B value="0.74287" />
+  <C value="-0.97767" />
+  <D value="1.092" />
+  <E value="-0.46681" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4914.9" />
+  <B value="686.94" />
+  <C value="-1.5072" />
+  <D value="0.0043969" />
+  <E value="-0.0000057306" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="223" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79819" />
+  <B value="-93.388" />
+  <C value="10.443" />
+  <D value="0.0030492" />
+  <E value="-0.0000015371" />
+  <Tmin units="K"  value="277.5" />
+  <Tmax units="K"  value="407.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68025" />
+  <B value="-873.5" />
+  <C value="12.537" />
+  <D value="-0.00086712" />
+  <E value="2.2298E-07" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14666" />
+  <B value="-146.64" />
+  <C value="-46.944" />
+  <D value="9273.3" />
+  <E value="-59706" />
+  <Tmin units="K"  value="277.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.012" />
+  <B value="2548.4" />
+  <C value="0.73092" />
+  <D value="-0.0000016452" />
+  <E value="2" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0229E-07" />
+  <B value="0.67781" />
+  <C value="216.84" />
+  <D value="-7478.9" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.006509" />
+  <B value="-45.732" />
+  <C value="-1.1121" />
+  <D value="-0.0023494" />
+  <E value="-2.6574E-07" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00042346" />
+  <B value="0.72759" />
+  <C value="609.27" />
+  <D value="10645" />
+  <Tmin units="K"  value="362" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016507" />
+  <B value="102.49" />
+  <C value="-3.2427" />
+  <D value="0.002483" />
+  <E value="-0.0000080057" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="537.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31310" />
+  <B value="196.15" />
+  <C value="-0.12609" />
+  <D value="0.000027886" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.357" />
+  <B value="2972.9" />
+  <C value="-59.701" />
+  <Tmin units="K"  value="339.2" />
+  <Tmax units="K"  value="488.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.143" />
+  <B value="-0.089877" />
+  <C value="0.00010345" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="362" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.246373" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.940499E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.4541" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260402" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="84.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0358" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.4274" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.343679" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0788193" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.058668" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.632" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.343679" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21250.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0788193" />
+<CAS name="CAS number"  value="79-02-7" />
+<Smiles name="SMILES"  value="[Cl]C([Cl])C(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1504" />
+<CompoundID name="Name"  value="Vinyl chloride" />
+<StructureFormula name="Structure"  value="CH2CHCl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="432" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.179" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.283" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="259.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="119.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="119.36" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0191781" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.4982" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0692236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.100107" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.049E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03203" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.74E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.845E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.195E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="273540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4744000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66941" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.178E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.453" />
+  <B value="-0.021899" />
+  <Tmin units="K"  value="47.74" />
+  <Tmax units="K"  value="119.36" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4882" />
+  <B value="0.26866" />
+  <C value="432" />
+  <D value="0.2693" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="30.50309" />
+  <B value="-3204.111" />
+  <C value="-1.15716" />
+  <D value="-3.151817E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="432" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.6581E+07" />
+  <B value="-2.1189" />
+  <C value="8.303" />
+  <D value="-9.8551" />
+  <E value="4.0685" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="69150" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29928" />
+  <B value="167.46" />
+  <C value="5.6386" />
+  <D value="0.023319" />
+  <E value="-0.000024747" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39013" />
+  <B value="-667.91" />
+  <C value="11.935" />
+  <D value="-0.00030895" />
+  <E value="9.1245E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.098959" />
+  <B value="-101.3" />
+  <C value="-7.5955" />
+  <D value="2613.5" />
+  <E value="-5619.5" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="1962" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.586" />
+  <B value="386.19" />
+  <C value="-1.1014" />
+  <D value="-9.1164E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.1288E-07" />
+  <B value="0.63726" />
+  <C value="118.97" />
+  <D value="5390.5" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060341" />
+  <B value="155.36" />
+  <C value="-4.6785" />
+  <D value="0.015523" />
+  <E value="-0.000038165" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="377.59" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-260.51" />
+  <B value="0.58623" />
+  <C value="-1.7838E+08" />
+  <D value="-1.6691E+09" />
+  <Tmin units="K"  value="259.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022524" />
+  <B value="0.70561" />
+  <C value="-2.4028" />
+  <D value="-0.0019215" />
+  <E value="-0.0000032256" />
+  <Tmin units="K"  value="119.36" />
+  <Tmax units="K"  value="415.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13749" />
+  <B value="162.87" />
+  <C value="-0.095843" />
+  <D value="0.000021301" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="2058.7" />
+  <C value="-35.364" />
+  <Tmin units="K"  value="259.3" />
+  <Tmax units="K"  value="388.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.9112" />
+  <B value="-0.029433" />
+  <C value="0.00003364" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.169758" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.783204E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.7975" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281776" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="59.73" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34884" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.025" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.919257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.100107" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0646597" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.9124" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.492" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4731" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.100107" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17766.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0646597" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="46"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="32"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="46"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-01-4" />
+<Smiles name="SMILES"  value="C=C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1851" />
+<CompoundID name="Name"  value="Acetyl chloride" />
+<StructureFormula name="Structure"  value="CH3COCl" />
+<Family name="Family"  value="71" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.196" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="323.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0945737" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.4976" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0713449" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.334018" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.712E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03699" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.52E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4351E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.058E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.75307E+08" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.7599E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.469" />
+  <B value="-0.013585" />
+  <Tmin units="K"  value="64.12" />
+  <Tmax units="K"  value="160.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4254" />
+  <B value="0.27938" />
+  <C value="508" />
+  <D value="0.26304" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.17638" />
+  <B value="-7177.914" />
+  <C value="-11.22425" />
+  <D value="-0.0000057394" />
+  <E value="2" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.0E+07" />
+  <B value="0.3" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="519.35" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42690" />
+  <B value="1356.4" />
+  <C value="-2.0032" />
+  <D value="0.038796" />
+  <E value="-0.000032805" />
+  <Tmin units="K"  value="227.44" />
+  <Tmax units="K"  value="381" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55490" />
+  <B value="-733.46" />
+  <C value="11.97" />
+  <D value="-0.00022853" />
+  <E value="6.1958E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12026" />
+  <B value="-122.6" />
+  <C value="-19.118" />
+  <D value="-10341" />
+  <E value="16844" />
+  <Tmin units="K"  value="254" />
+  <Tmax units="K"  value="1850" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="4.4371" />
+  <B value="130.26" />
+  <C value="-2.2299" />
+  <D value="-8.5166E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0377E-08" />
+  <B value="0.94052" />
+  <C value="79.768" />
+  <D value="-9041.6" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11965" />
+  <B value="1957.5" />
+  <C value="-32.911" />
+  <D value="0.1548" />
+  <E value="-0.00027429" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-27944" />
+  <B value="0.34599" />
+  <C value="-4.878E+09" />
+  <D value="-7.8546E+10" />
+  <Tmin units="K"  value="323.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028314" />
+  <B value="13.997" />
+  <C value="-2.5681" />
+  <D value="-0.00040564" />
+  <E value="-0.0000031823" />
+  <Tmin units="K"  value="160.3" />
+  <Tmax units="K"  value="508" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24995.64" />
+  <B value="170.9624" />
+  <C value="-0.0985039" />
+  <D value="0.0000221861" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.34649" />
+  <B value="-7900" />
+  <C value="-47.4" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.285" />
+  <B value="3449.5" />
+  <C value="-3.3316" />
+  <Tmin units="K"  value="306.28" />
+  <Tmax units="K"  value="453.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.4531" />
+  <B value="-0.020401" />
+  <C value="0.000018319" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="323.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.196053" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.310544E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.066" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26125" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="65.84" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0285" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.104" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.334018" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0712327" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.438365" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.208" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.334018" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20189.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0712327" />
+<CAS name="CAS number"  value="75-36-5" />
+<Smiles name="SMILES"  value="CC(=O)Cl" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1524" />
+<CompoundID name="Name"  value="1,1,2-trichloroethane" />
+<StructureFormula name="Structure"  value="CHCl2CH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="602" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.281" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="44.7475" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="133.404" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0929898" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.259135" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.717E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05311" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.36E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.42E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.097E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="337100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85565" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.685E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.57" />
+  <B value="-0.006887" />
+  <Tmin units="K"  value="94.6" />
+  <Tmax units="K"  value="236.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.9055" />
+  <B value="0.25465" />
+  <C value="602" />
+  <D value="0.30987" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.05096" />
+  <B value="-6428.165" />
+  <C value="-6.44717" />
+  <D value="3.27127E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0503E+07" />
+  <B value="0.64021" />
+  <C value="-1.1382" />
+  <D value="1.5379" />
+  <E value="-0.66031" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="654700" />
+  <B value="-14318" />
+  <C value="123.14" />
+  <D value="-0.43554" />
+  <E value="0.00055528" />
+  <Tmin units="K"  value="117.15" />
+  <Tmax units="K"  value="222.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121000" />
+  <B value="433.16" />
+  <C value="2.2235" />
+  <D value="0.034423" />
+  <E value="-0.000040901" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56506" />
+  <B value="-535.36" />
+  <C value="12.166" />
+  <D value="-0.00021958" />
+  <E value="4.8605E-08" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18736" />
+  <B value="-244.22" />
+  <C value="-36.351" />
+  <D value="-1273" />
+  <E value="-10172" />
+  <Tmin units="K"  value="301" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-26.218" />
+  <B value="1571.3" />
+  <C value="2.5992" />
+  <D value="-0.0000081378" />
+  <E value="2" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="387" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8974E-07" />
+  <B value="0.68713" />
+  <C value="200.47" />
+  <D value="-854.38" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.027258" />
+  <B value="-78.724" />
+  <C value="-0.73941" />
+  <D value="-0.0030401" />
+  <E value="8.8565E-07" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="482" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000095455" />
+  <B value="1.0427" />
+  <C value="1258.3" />
+  <D value="-2960.2" />
+  <Tmin units="K"  value="387" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01087" />
+  <B value="126.61" />
+  <C value="-3.7929" />
+  <D value="0.0032685" />
+  <E value="-0.0000080616" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="602" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18491.19" />
+  <B value="309.57" />
+  <C value="-0.272542" />
+  <D value="0.0000927467" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.355533" />
+  <B value="-3750" />
+  <C value="-22.5" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.075" />
+  <B value="3187" />
+  <C value="-53.379" />
+  <Tmin units="K"  value="366.15" />
+  <Tmax units="K"  value="536.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.56855" />
+  <B value="-0.035441" />
+  <C value="0.000035292" />
+  <Tmin units="K"  value="236.5" />
+  <Tmax units="K"  value="387" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.282745" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.389493E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.1387" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267821" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.73" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0403" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.44" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.259768" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0929898" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.526" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.259768" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19818.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0929898" />
+<UnifacVLE name="UNIFAC" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="31"  value="1" />
+  <group id="35"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="35"  value="1" />
+  <group id="37"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="45"  value="1" />
+  <group id="49"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="44"  value="1" />
+  <group id="48"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-00-5" />
+<Smiles name="SMILES"  value="C([Cl])([Cl])C[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1772" />
+<CompoundID name="Name"  value="Acetonitrile" />
+<StructureFormula name="Structure"  value="CH3CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="545.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4830000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.173" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.184" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="229.32" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.32" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="186.945" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="41.0519" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0528577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.337886" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.841E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02837" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.31E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7.404E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.1868E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243290" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8167000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10072" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.19043E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="26.156" />
+  <B value="-0.012566" />
+  <Tmin units="K"  value="91.73" />
+  <Tmax units="K"  value="229.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3064" />
+  <B value="0.22597" />
+  <C value="545.5" />
+  <D value="0.28678" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.90188" />
+  <B value="-5635.018" />
+  <C value="-6.338065" />
+  <D value="5.801644E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="226.15" />
+  <Tmax units="K"  value="545.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.416703E+07" />
+  <B value="0.0989791" />
+  <C value="1.817987" />
+  <D value="-3.443548" />
+  <E value="1.854664" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24879" />
+  <B value="1533.9" />
+  <C value="-14.715" />
+  <D value="0.077647" />
+  <E value="-0.00014986" />
+  <Tmin units="K"  value="25.75" />
+  <Tmax units="K"  value="224.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78687" />
+  <B value="635.92" />
+  <C value="1.7473" />
+  <D value="0.02389" />
+  <E value="-0.000017421" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="354.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41003" />
+  <B value="-679.99" />
+  <C value="11.578" />
+  <D value="0.00010104" />
+  <E value="-4.1014E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.0059949" />
+  <B value="-17.326" />
+  <C value="-84.313" />
+  <D value="48578" />
+  <E value="-218790" />
+  <Tmin units="K"  value="301.4" />
+  <Tmax units="K"  value="1918" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-31.531" />
+  <B value="1522.1" />
+  <C value="3.3306" />
+  <D value="-0.0000059061" />
+  <E value="2" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="436.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1905E-08" />
+  <B value="0.88581" />
+  <C value="38.325" />
+  <D value="87.034" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.18265" />
+  <B value="8401.9" />
+  <C value="-103.1" />
+  <D value="0.40559" />
+  <E value="-0.00056286" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="4.7622E-08" />
+  <B value="2.1156" />
+  <C value="30.88" />
+  <D value="-14671" />
+  <Tmin units="K"  value="354.75" />
+  <Tmax units="K"  value="994.75" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.020712" />
+  <B value="60.742" />
+  <C value="-3.1145" />
+  <D value="0.0012183" />
+  <E value="-0.0000051841" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="545.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20459.76" />
+  <B value="119.5411" />
+  <C value="-0.0449278" />
+  <D value="3.213187E-06" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.40026" />
+  <B value="-12960.1" />
+  <C value="-29.78921" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="545" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.165" />
+  <B value="3643.3" />
+  <C value="-12.319" />
+  <Tmin units="K"  value="329.17" />
+  <Tmax units="K"  value="478.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.8595" />
+  <B value="-0.024217" />
+  <C value="0.000023868" />
+  <Tmin units="K"  value="229.32" />
+  <Tmax units="K"  value="436.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.15354" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.927671E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="80.36225" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260911" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="43.27" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.05284" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0221" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.30759" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0526772" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.87" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.72" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.33826" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338174" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24093.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0526772" />
+<UnifacVLE name="UNIFAC" >
+  <group id="41"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="41"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="28"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="41"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="41"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="40"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-05-8" />
+<Smiles name="SMILES"  value="CC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="201" />
+<CompoundID name="Name"  value="Ethylene" />
+<StructureFormula name="Structure"  value="CH2CH2" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="282.34" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5041000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.282" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="169.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="104" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="104" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="125.988" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="28.054" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05107" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.087" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.548E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02388" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.251E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.844E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="219200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3351000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.61252" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.323E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.172" />
+  <B value="-0.027595" />
+  <Tmin units="K"  value="73.15" />
+  <Tmax units="K"  value="104" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.3782" />
+  <B value="0.29542" />
+  <C value="282.36" />
+  <D value="0.32456" />
+  <Tmin units="K"  value="103.18" />
+  <Tmax units="K"  value="282.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="54.53229" />
+  <B value="-2458.42" />
+  <C value="-5.660037" />
+  <D value="0.0000194185" />
+  <E value="2" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="282.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1658E+07" />
+  <B value="1.2164" />
+  <C value="-2.1538" />
+  <D value="2.0768" />
+  <E value="-0.73096" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="282.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4815.2" />
+  <B value="-937.58" />
+  <C value="68.923" />
+  <D value="-1.0511" />
+  <E value="0.0052386" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="103.97" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68016" />
+  <B value="-22414" />
+  <C value="286.75" />
+  <D value="-1.1802" />
+  <E value="0.0017304" />
+  <Tmin units="K"  value="99.82" />
+  <Tmax units="K"  value="259.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33071.93" />
+  <B value="-860.0281" />
+  <C value="12.22807" />
+  <D value="-0.000509703" />
+  <E value="1.628387E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.092447" />
+  <B value="-60.239" />
+  <C value="-0.7957" />
+  <D value="-5.0549" />
+  <E value="5.3309" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9556" />
+  <B value="288.21" />
+  <C value="-0.21985" />
+  <D value="-0.000010831" />
+  <E value="2" />
+  <Tmin units="K"  value="103.1" />
+  <Tmax units="K"  value="260" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021134" />
+  <B value="0.41436" />
+  <C value="359.51" />
+  <D value="-2291.7" />
+  <Tmin units="K"  value="169.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19499" />
+  <B value="-11.178" />
+  <C value="-0.31182" />
+  <D value="-0.0034844" />
+  <E value="3.5873E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="280" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000093247" />
+  <B value="1.4607" />
+  <C value="410.48" />
+  <D value="-44405" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="590.92" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.002859" />
+  <B value="236.18" />
+  <C value="-7.9878" />
+  <D value="0.032145" />
+  <E value="-0.000097469" />
+  <Tmin units="K"  value="104" />
+  <Tmax units="K"  value="272.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35095" />
+  <B value="-73.018" />
+  <C value="0.48182" />
+  <D value="-0.00055948" />
+  <E value="2.0878E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.89" />
+  <B value="1502.3" />
+  <C value="-8.9148" />
+  <Tmin units="K"  value="169.41" />
+  <Tmax units="K"  value="253.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.3856" />
+  <B value="-0.034465" />
+  <C value="0.000053356" />
+  <Tmin units="K"  value="103.1" />
+  <Tmax units="K"  value="260" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13097" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.329924E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="193.4561" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="41.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0177" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.383226" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0882" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0493214" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.57" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.49" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002805" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0949" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12436.64" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.061" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-85-1" />
+<Smiles name="SMILES"  value="C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1522" />
+<CompoundID name="Name"  value="1,1-dichloroethane" />
+<StructureFormula name="Structure"  value="CHCl2CH3" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="523" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.236" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.277" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="330.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.21455" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.959" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08473" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.244" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.095E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04493" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.33E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2941E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.259E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="305010" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7870000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95261" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1104E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.18" />
+  <B value="-0.010734" />
+  <Tmin units="K"  value="70.48" />
+  <Tmax units="K"  value="176.19" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1057" />
+  <B value="0.26536" />
+  <C value="523" />
+  <D value="0.28703" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.53401" />
+  <B value="-5492.415" />
+  <C value="-6.715993" />
+  <D value="5.298782E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="523" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.458773E+07" />
+  <B value="0.555838" />
+  <C value="0.0209485" />
+  <D value="-0.722234" />
+  <E value="0.56963" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14894" />
+  <B value="1761.9" />
+  <C value="-17.551" />
+  <D value="0.085912" />
+  <E value="-0.00013498" />
+  <Tmin units="K"  value="14.17" />
+  <Tmax units="K"  value="165.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115470" />
+  <B value="479.34" />
+  <C value="1.2009" />
+  <D value="0.029511" />
+  <E value="-0.000025794" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45661" />
+  <B value="-449.92" />
+  <C value="11.802" />
+  <D value="0.00015496" />
+  <E value="-5.3829E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.065419" />
+  <B value="-59.071" />
+  <C value="-33.932" />
+  <D value="9018.2" />
+  <E value="-20873" />
+  <Tmin units="K"  value="261.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.7803" />
+  <B value="891.16" />
+  <C value="-0.14866" />
+  <D value="-3.5884E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001814" />
+  <B value="0.74706" />
+  <C value="93.461" />
+  <D value="1513.7" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011357" />
+  <B value="-64.086" />
+  <C value="-0.98127" />
+  <D value="-0.0039469" />
+  <E value="6.6106E-07" />
+  <Tmin units="K"  value="156.9" />
+  <Tmax units="K"  value="416.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013381" />
+  <B value="1.01" />
+  <C value="1042.5" />
+  <D value="-2442" />
+  <Tmin units="K"  value="330.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043274" />
+  <B value="-3.8245" />
+  <C value="-2.0709" />
+  <D value="-0.0019704" />
+  <E value="-1.9129E-07" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="504.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21701" />
+  <B value="206.64" />
+  <C value="-0.056123" />
+  <D value="-0.000086055" />
+  <E value="5.3462E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.65507" />
+  <B value="-8350" />
+  <C value="-50.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.36" />
+  <B value="2884.3" />
+  <C value="-37.086" />
+  <Tmin units="K"  value="318.35" />
+  <Tmax units="K"  value="468.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.60084" />
+  <B value="-0.045249" />
+  <C value="0.000058588" />
+  <Tmin units="K"  value="176.19" />
+  <Tmax units="K"  value="330.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.38154E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="336.0022" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.83715" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0336" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.18256" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23646" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0847207" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9617" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.532" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5103" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.244612" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18299.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0847207" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="49"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="35"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="37"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="49"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="48"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-34-3" />
+<Smiles name="SMILES"  value="CC([Cl])[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1523" />
+<CompoundID name="Name"  value="1,2-dichloroethane" />
+<StructureFormula name="Structure"  value="CH2ClCH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="237.49" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="237.49" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="237.127" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.959" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07945" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.286" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.827E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0437" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2979E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.3945E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8830000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98897" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.105E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.854" />
+  <B value="2.2061E-09" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="232.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1942" />
+  <B value="0.27053" />
+  <C value="561.61" />
+  <D value="0.29157" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="561.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.47902" />
+  <B value="-6503.169" />
+  <C value="-8.960273" />
+  <D value="7.32894E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="561.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.072427E+07" />
+  <B value="0.517321" />
+  <C value="0.205828" />
+  <D value="-0.637156" />
+  <E value="0.265499" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32947" />
+  <B value="-881.85" />
+  <C value="32.363" />
+  <D value="-0.29817" />
+  <E value="0.00092602" />
+  <Tmin units="K"  value="40.69" />
+  <Tmax units="K"  value="179.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92757" />
+  <B value="224.15" />
+  <C value="8.5223" />
+  <D value="0.0025656" />
+  <E value="0.000005106" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="522.04" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62073" />
+  <B value="-758.84" />
+  <C value="12.345" />
+  <D value="-0.0004196" />
+  <E value="0.0000001146" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15478" />
+  <B value="-169.14" />
+  <C value="-26.602" />
+  <D value="737.05" />
+  <E value="-4862.1" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="1964" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="25.747" />
+  <B value="-385.45" />
+  <C value="-5.5912" />
+  <D value="0.0000027937" />
+  <E value="2" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1983E-07" />
+  <B value="0.79504" />
+  <C value="20.791" />
+  <D value="14003" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.015945" />
+  <B value="-110.67" />
+  <C value="-0.74013" />
+  <D value="-0.0032664" />
+  <E value="-5.0786E-07" />
+  <Tmin units="K"  value="244.26" />
+  <Tmax units="K"  value="499.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023592" />
+  <B value="0.93945" />
+  <C value="1368.6" />
+  <D value="23794" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022707" />
+  <B value="74.78" />
+  <C value="-2.954" />
+  <D value="0.00056054" />
+  <E value="-0.0000041954" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24860" />
+  <B value="192.87" />
+  <C value="-0.03359" />
+  <D value="-0.000094203" />
+  <E value="0.0000000513" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.970346" />
+  <B value="-5150" />
+  <C value="-30.9" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.473" />
+  <B value="3186" />
+  <C value="-36.407" />
+  <Tmin units="K"  value="337.48" />
+  <Tmax units="K"  value="499.82" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.994" />
+  <B value="-0.021914" />
+  <C value="0.000015517" />
+  <Tmin units="K"  value="237.49" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.231863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.805919E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.5597" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.73831" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0334" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2604" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2876" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0794424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.88" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.52" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2388" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2876" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20249.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0794424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="45"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="31"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="35"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="45"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="45"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="44"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-06-2" />
+<Smiles name="SMILES"  value="[Cl]CC[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1002" />
+<CompoundID name="Name"  value="Acetaldehyde" />
+<StructureFormula name="Structure"  value="CH3CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="466" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.154" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="150.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="150.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.323203" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0526" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0568878" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.290734" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.083E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02881" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.49E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.664E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.333E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="264200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3220000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.19343" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1045E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.289" />
+  <B value="-0.020316" />
+  <Tmin units="K"  value="60.06" />
+  <Tmax units="K"  value="150.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2346" />
+  <B value="0.22392" />
+  <C value="466" />
+  <D value="0.25025" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="455.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="132.6058" />
+  <B value="-7086.883" />
+  <C value="-17.42481" />
+  <D value="0.0000237457" />
+  <E value="2" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="466" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4565E+07" />
+  <B value="-6.1925" />
+  <C value="18.559" />
+  <D value="-20.707" />
+  <E value="8.5605" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="449.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="65440" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72077" />
+  <B value="1068.4" />
+  <C value="-6.4275" />
+  <D value="0.06878" />
+  <E value="-0.000079154" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="294" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42578" />
+  <B value="-730.39" />
+  <C value="11.883" />
+  <D value="0.000033485" />
+  <E value="-3.0296E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.078952" />
+  <B value="-74.81" />
+  <C value="-19.77" />
+  <D value="936.76" />
+  <E value="-8295.3" />
+  <Tmin units="K"  value="230.5" />
+  <Tmax units="K"  value="1844" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.0316" />
+  <B value="623.05" />
+  <C value="-1.1589" />
+  <D value="8.4583E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="444.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1933E-07" />
+  <B value="0.78879" />
+  <C value="65.293" />
+  <D value="1023.3" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.014392" />
+  <B value="-40.45" />
+  <C value="-0.67323" />
+  <D value="-0.0036191" />
+  <E value="0.0000011083" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="410.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="3.2627E-07" />
+  <B value="1.8293" />
+  <C value="-23.073" />
+  <D value="3397.7" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="994" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.038609" />
+  <B value="8.1469" />
+  <C value="-2.3156" />
+  <D value="-0.0012955" />
+  <E value="-0.0000017377" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="449.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7716" />
+  <B value="182.3" />
+  <C value="-0.1007" />
+  <D value="0.0000238" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-25.20353" />
+  <B value="-10000" />
+  <C value="-65.4" />
+  <Tmin units="K"  value="259.15" />
+  <Tmax units="K"  value="429.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.688" />
+  <B value="3543.8" />
+  <C value="23.246" />
+  <Tmin units="K"  value="282.85" />
+  <Tmax units="K"  value="416.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.38" />
+  <B value="-0.03568" />
+  <C value="0.000039369" />
+  <Tmin units="K"  value="150.15" />
+  <Tmax units="K"  value="444.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.15309" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.120889E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="132.7735" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="47.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.05829" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0217" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.778" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26469" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0564965" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.9" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.8" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.58913" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316685" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19818.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0564965" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-07-0" />
+<Smiles name="SMILES"  value="CC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1441" />
+<CompoundID name="Name"  value="Ethylene oxide" />
+<StructureFormula name="Structure"  value="CH2OCH2" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="469.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7190000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.140296" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25876" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="283.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.78791" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.0526" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0508328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.197447" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.937E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02416" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.263E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.323E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="242990" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5171400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78776" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.218E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="29.78" />
+  <B value="-0.02052" />
+  <Tmin units="K"  value="64.26" />
+  <Tmax units="K"  value="160.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99773" />
+  <B value="0.19368" />
+  <C value="469.15" />
+  <D value="0.19965" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="468.93" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.60869" />
+  <B value="-4890.744" />
+  <C value="-7.346771" />
+  <D value="8.198478E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="469.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9285E+07" />
+  <B value="3.2175" />
+  <C value="-7.404" />
+  <D value="7.8553" />
+  <E value="-3.1858" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="468.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20332" />
+  <B value="1447.4" />
+  <C value="-11.168" />
+  <D value="0.034509" />
+  <E value="0.0000067015" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="160.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81911" />
+  <B value="-50003" />
+  <C value="534.49" />
+  <D value="-1.8654" />
+  <E value="0.00223" />
+  <Tmin units="K"  value="160.6" />
+  <Tmax units="K"  value="285" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31884.09" />
+  <B value="-715.0886" />
+  <C value="12.13937" />
+  <D value="-0.0000867837" />
+  <E value="-5.187264E-09" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.05805" />
+  <B value="-49.435" />
+  <C value="-18.537" />
+  <D value="7195.3" />
+  <E value="-17758" />
+  <Tmin units="K"  value="234.57" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.5785" />
+  <B value="634.7" />
+  <C value="-0.32031" />
+  <D value="-8.1095E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="469.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010777" />
+  <B value="0.52994" />
+  <C value="452.12" />
+  <D value="-16957" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="1223.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.2748" />
+  <B value="8.1093" />
+  <C value="-0.70065" />
+  <D value="-0.00041054" />
+  <E value="-6.2588E-07" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.00032904" />
+  <B value="1.1711" />
+  <C value="-7027.1" />
+  <D value="89001" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.041866" />
+  <B value="-3.1134" />
+  <C value="-2.1272" />
+  <D value="-0.0015044" />
+  <E value="-0.0000015749" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="452.91" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7520.322" />
+  <B value="222.0616" />
+  <C value="-0.125595" />
+  <D value="0.0000259182" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.87179" />
+  <B value="-7000" />
+  <C value="-42" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.753" />
+  <B value="2668.9" />
+  <C value="-22.526" />
+  <Tmin units="K"  value="282.36" />
+  <Tmax units="K"  value="420.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.1876" />
+  <B value="-0.041268" />
+  <C value="0.000058903" />
+  <Tmin units="K"  value="160.65" />
+  <Tmax units="K"  value="303.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.13515" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.910399E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="235.8602" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="47.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01111" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.02" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.88208" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2114" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0497046" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.5927" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.32" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.12867" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.202" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21584" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0497046" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-21-8" />
+<Smiles name="SMILES"  value="C1OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1252" />
+<CompoundID name="Name"  value="Acetic acid" />
+<StructureFormula name="Structure"  value="CH3COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.45" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5790000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.171" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="289.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1280" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.053" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05753" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.46" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.61E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0333" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.328E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.745E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="282500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.173E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.29616" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.866E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.877" />
+  <B value="-0.0096568" />
+  <Tmin units="K"  value="115.92" />
+  <Tmax units="K"  value="289.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0627" />
+  <B value="0.22174" />
+  <C value="594.76" />
+  <D value="0.22566" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="594.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.50607" />
+  <B value="-7603.906" />
+  <C value="-9.655308" />
+  <D value="7.168835E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="594.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6203E+07" />
+  <B value="6.7121" />
+  <C value="-17.45" />
+  <D value="17.2" />
+  <E value="-6.0038" />
+  <Tmin units="K"  value="289.81" />
+  <Tmax units="K"  value="591.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12076" />
+  <B value="1070.4" />
+  <C value="-5.5698" />
+  <D value="0.01112" />
+  <E value="-9.9868E-07" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="289.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49034" />
+  <B value="1051.1" />
+  <C value="0.77564" />
+  <D value="0.031667" />
+  <E value="-0.000028344" />
+  <Tmin units="K"  value="289.69" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40110" />
+  <B value="-588.24" />
+  <C value="12.017" />
+  <D value="0.00016249" />
+  <E value="-8.6918E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-58.528" />
+  <B value="2990.9" />
+  <C value="7.4911" />
+  <D value="-0.000011028" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.3395E-09" />
+  <B value="1.24" />
+  <C value="-175.09" />
+  <D value="25013" />
+  <Tmin units="K"  value="289.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11159" />
+  <B value="-531.13" />
+  <C value="1.6359" />
+  <D value="-0.009369" />
+  <E value="-7.1996E-07" />
+  <Tmin units="K"  value="274.09" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.34137" />
+  <B value="-0.80579" />
+  <C value="-824.3" />
+  <D value="175840" />
+  <Tmin units="K"  value="391.05" />
+  <Tmax units="K"  value="468.55" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025913" />
+  <B value="31.086" />
+  <C value="-2.8254" />
+  <D value="0.000036752" />
+  <E value="-0.0000025639" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="591.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36376" />
+  <B value="-19.93" />
+  <C value="0.56181" />
+  <D value="-0.00072868" />
+  <E value="2.8918E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.091204" />
+  <B value="-3100" />
+  <C value="-18.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.785" />
+  <B value="4151.5" />
+  <C value="-22.49" />
+  <Tmin units="K"  value="361.02" />
+  <Tmax units="K"  value="533.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.57433" />
+  <B value="-0.034964" />
+  <C value="0.00003435" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="391.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.17407" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.14509E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="118.2324" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="53.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.05202" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0235" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0515" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.43099" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0575804" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.23" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.04" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.92225" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4566" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18501.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0575804" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="64-19-7" />
+<Smiles name="SMILES"  value="CC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1301" />
+<CompoundID name="Name"  value="Methyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="487.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.172" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="304.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.88085" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.053" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06214" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.387E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03251" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.524E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.95E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="285200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7531000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86547" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.924E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.868" />
+  <B value="-0.015242" />
+  <Tmin units="K"  value="69.66" />
+  <Tmax units="K"  value="174.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.213" />
+  <B value="0.23619" />
+  <C value="487.2" />
+  <D value="0.24621" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.6458" />
+  <B value="-5401.751" />
+  <C value="-7.334787" />
+  <D value="5.934343E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0578E+07" />
+  <B value="3.7855" />
+  <C value="-9.0874" />
+  <D value="9.6043" />
+  <E value="-3.7868" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="487.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="78860" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97064" />
+  <B value="3377.4" />
+  <C value="-42.373" />
+  <D value="0.22648" />
+  <E value="-0.00029763" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41319" />
+  <B value="-570.15" />
+  <C value="12.038" />
+  <D value="-0.000034216" />
+  <E value="-2.7109E-11" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.095846" />
+  <B value="-103.82" />
+  <C value="-15.924" />
+  <D value="-865.24" />
+  <E value="-816.67" />
+  <Tmin units="K"  value="243.6" />
+  <Tmax units="K"  value="1948.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.949" />
+  <B value="1214.4" />
+  <C value="-0.53562" />
+  <D value="0.000010346" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000069776" />
+  <B value="0.31537" />
+  <C value="1034.6" />
+  <D value="13.293" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0090363" />
+  <B value="23.594" />
+  <C value="-1.5627" />
+  <D value="0.00089283" />
+  <E value="-0.0000058101" />
+  <Tmin units="K"  value="146.16" />
+  <Tmax units="K"  value="386.16" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-817050" />
+  <B value="-0.23016" />
+  <C value="2.5314E+08" />
+  <D value="-1.5205E+12" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013259" />
+  <B value="47.144" />
+  <C value="-3.0417" />
+  <D value="0.001159" />
+  <E value="-0.0000083817" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="470.72" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="18932" />
+  <B value="149.77" />
+  <C value="0.096448" />
+  <D value="-0.00024287" />
+  <E value="1.1158E-07" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.378946" />
+  <B value="-4250" />
+  <C value="-25.5" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.436" />
+  <B value="2622.4" />
+  <C value="-40.294" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="437.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0549" />
+  <B value="-0.05168" />
+  <C value="0.000071381" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="304.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16931" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.348593E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="232.362" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="53.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.22908" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0245" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.981244" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25698" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0620841" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1431" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.036" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.86272" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.257" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20503.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0620841" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-31-3" />
+<Smiles name="SMILES"  value="COC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1503" />
+<CompoundID name="Name"  value="Ethyl chloride" />
+<StructureFormula name="Structure"  value="CH3CH2Cl" />
+<Family name="Family"  value="65" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="460.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.199" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="285.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.1249" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="64.514" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07258" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.267E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03552" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1226E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.0499E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275780" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4451800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77201" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.2849E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.614" />
+  <B value="-0.018098" />
+  <Tmin units="K"  value="53.92" />
+  <Tmax units="K"  value="134.8" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3553" />
+  <B value="0.26895" />
+  <C value="460.36" />
+  <D value="0.24994" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="460.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.28342" />
+  <B value="-4206.393" />
+  <C value="-4.478839" />
+  <D value="3.812824E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="460.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.61548E+07" />
+  <B value="0.981924" />
+  <C value="-2.026046" />
+  <D value="2.205811" />
+  <E value="-0.774155" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="443.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13544" />
+  <B value="1361" />
+  <C value="-5.3607" />
+  <D value="-0.058393" />
+  <E value="0.00049341" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="134.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95946" />
+  <B value="-7247" />
+  <C value="67.469" />
+  <D value="-0.16696" />
+  <E value="0.00017795" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="340" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="12765.96" />
+  <B value="-117.0948" />
+  <C value="11.04141" />
+  <D value="0.00111696" />
+  <E value="-3.565557E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11811" />
+  <B value="-121.34" />
+  <C value="-10.857" />
+  <D value="-276.9" />
+  <E value="96.111" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="1841.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.065" />
+  <B value="698.32" />
+  <C value="-0.097691" />
+  <D value="8.0018E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2572E-07" />
+  <B value="0.66869" />
+  <C value="165.43" />
+  <D value="-2726.9" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.062544" />
+  <B value="150.84" />
+  <C value="-4.3182" />
+  <D value="0.012599" />
+  <E value="-0.000031799" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-19.83" />
+  <B value="0.20145" />
+  <C value="-728060" />
+  <D value="-2.7917E+08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036834" />
+  <B value="33.167" />
+  <C value="-2.7206" />
+  <D value="0.000040391" />
+  <E value="-0.0000033391" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="443.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25185" />
+  <B value="82.189" />
+  <C value="0.24669" />
+  <D value="-0.00037831" />
+  <E value="1.5556E-07" />
+  <Tmin units="K"  value="134.8" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.394" />
+  <B value="-4725" />
+  <C value="-28.35" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.412" />
+  <B value="2616.2" />
+  <C value="-20.799" />
+  <Tmin units="K"  value="276.6" />
+  <Tmax units="K"  value="408.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7339" />
+  <B value="-0.03541" />
+  <C value="0.000044884" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1858" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.45E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="423" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="64.35" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0268" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.902494" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.18795" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0708426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.3665" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.112" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.190636" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17772.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0708426" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="31"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="35"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="44"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-00-3" />
+<Smiles name="SMILES"  value="CC[Cl]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2" />
+<CompoundID name="Name"  value="Ethane" />
+<StructureFormula name="Structure"  value="CH3CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="305.32" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4872000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1455" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.279" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="184.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="90.352" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="90.352" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.13" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="30.07" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.099" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.826E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02734" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.382E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.192E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="229120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2859000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.68638" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.42864E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="25.301" />
+  <B value="-0.012024" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="90.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3749" />
+  <B value="0.23949" />
+  <C value="305.43" />
+  <D value="0.22875" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="305.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.43744" />
+  <B value="-2814.319" />
+  <C value="-6.778053" />
+  <D value="0.0000210827" />
+  <E value="2" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="305.42" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.3996E+07" />
+  <B value="1.4625" />
+  <C value="-2.8991" />
+  <D value="2.8421" />
+  <E value="-0.99532" />
+  <Tmin units="K"  value="89.88" />
+  <Tmax units="K"  value="305.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7021.9" />
+  <B value="-1326.3" />
+  <C value="90.192" />
+  <D value="-1.4782" />
+  <E value="0.0082308" />
+  <Tmin units="K"  value="15.53" />
+  <Tmax units="K"  value="78.55" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68726" />
+  <B value="-1953.6" />
+  <C value="31.772" />
+  <D value="-0.10571" />
+  <E value="0.00019673" />
+  <Tmin units="K"  value="88.71" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="35666.22" />
+  <B value="-616.5198" />
+  <C value="11.69914" />
+  <D value="0.000444525" />
+  <E value="-1.541942E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.080874" />
+  <B value="-61.025" />
+  <C value="-1.5752" />
+  <D value="9.7998" />
+  <E value="-13.178" />
+  <Tmin units="K"  value="115" />
+  <Tmax units="K"  value="1773.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-33.92204" />
+  <B value="743.404" />
+  <C value="4.302492" />
+  <D value="-0.0000364469" />
+  <E value="2" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.2452E-07" />
+  <B value="0.58906" />
+  <C value="188.8" />
+  <D value="-2953.8" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.073876" />
+  <B value="-9.6787" />
+  <C value="-0.67405" />
+  <D value="-0.003407" />
+  <E value="-0.0000022023" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074549" />
+  <B value="1.168" />
+  <C value="506.4" />
+  <D value="-881.74" />
+  <Tmin units="K"  value="184.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092564" />
+  <B value="30.13" />
+  <C value="-3.5743" />
+  <D value="0.0026003" />
+  <E value="-0.000021736" />
+  <Tmin units="K"  value="89.88" />
+  <Tmax units="K"  value="305.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34738" />
+  <B value="-36.808" />
+  <C value="0.4706" />
+  <D value="-0.000553" />
+  <E value="2.0678E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="1665.8" />
+  <C value="-7.8809" />
+  <Tmin units="K"  value="183.85" />
+  <Tmax units="K"  value="273.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.6951" />
+  <B value="-0.027749" />
+  <C value="0.000033258" />
+  <Tmin units="K"  value="90.35" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.14575" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.540889E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="201.2999" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2793" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="45.66" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.42475" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0197" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.355683" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0983" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0551979" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.8022" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.696" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1.696" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.72531" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.0908" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12375.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0551979" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="6"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="230"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-84-0" />
+<Smiles name="SMILES"  value="CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1102" />
+<CompoundID name="Name"  value="Ethanol" />
+<StructureFormula name="Structure"  value="CH3CH2OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="513.92" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6148000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.167" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="351.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000495642" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.069" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05868" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.649" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.259E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.64E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.3495E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.6785E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="280640" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4931000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3327" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.235E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.584" />
+  <B value="-0.016742" />
+  <Tmin units="K"  value="63.62" />
+  <Tmax units="K"  value="159.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3539" />
+  <B value="0.24957" />
+  <C value="515.66" />
+  <D value="0.22099" />
+  <Tmin units="K"  value="159" />
+  <Tmax units="K"  value="515.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.0754" />
+  <B value="-7652.06" />
+  <C value="-9.471507" />
+  <D value="5.928087E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="516.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3899E+07" />
+  <B value="1.2782" />
+  <C value="-2.673" />
+  <D value="2.7973" />
+  <E value="-1.0209" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="515.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12797" />
+  <B value="1133.1" />
+  <C value="-7.3716" />
+  <D value="0.021296" />
+  <E value="-0.0000012564" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="159" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76684" />
+  <B value="675.72" />
+  <C value="-0.093875" />
+  <D value="0.037153" />
+  <E value="-0.000031214" />
+  <Tmin units="K"  value="158.5" />
+  <Tmax units="K"  value="399.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44530" />
+  <B value="-660.89" />
+  <C value="12.153" />
+  <D value="0.000019532" />
+  <E value="-1.5636E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.03174" />
+  <B value="-35.721" />
+  <C value="-17.382" />
+  <D value="-6686.6" />
+  <E value="-21212" />
+  <Tmin units="K"  value="263" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.061" />
+  <B value="774.76" />
+  <C value="-3.0701" />
+  <D value="-4.3408E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="440" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2467E-07" />
+  <B value="0.7862" />
+  <C value="76.034" />
+  <D value="-2017.3" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10247" />
+  <B value="-120.39" />
+  <C value="-0.48487" />
+  <D value="-0.0071706" />
+  <E value="0.000003461" />
+  <Tmin units="K"  value="159.05" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.01001" />
+  <B value="0.64925" />
+  <C value="-7360.5" />
+  <D value="-255250" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.078773" />
+  <B value="19.874" />
+  <C value="-2.3731" />
+  <D value="0.00067227" />
+  <E value="-0.0000021132" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36550" />
+  <B value="5.2215" />
+  <C value="0.46112" />
+  <D value="-0.00058401" />
+  <E value="2.2324E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-25.13869" />
+  <B value="17834.39" />
+  <C value="-2.936184" />
+  <D value="0.0226118" />
+  <E value="1.015427" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="510" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.994" />
+  <B value="3337.3" />
+  <C value="-60.406" />
+  <Tmin units="K"  value="308.5" />
+  <Tmax units="K"  value="458.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.9282" />
+  <B value="-0.045463" />
+  <C value="0.000042849" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="440" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.169282" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.31E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="431" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.96946" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0277" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79598" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.634" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0586177" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.11" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.97" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.92" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.678665" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.216396" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.1879" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.634" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26133.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0586177" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="64-17-5" />
+<Smiles name="SMILES"  value="CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1401" />
+<CompoundID name="Name"  value="Dimethyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="400.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.17" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="248.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="131.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="131.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.04959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="46.069" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06907" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.191" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.154E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03104" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.841E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.128E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="266700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4937000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77572" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.3284E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.059" />
+  <B value="-0.020492" />
+  <Tmin units="K"  value="52.66" />
+  <Tmax units="K"  value="131.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4889" />
+  <B value="0.26123" />
+  <C value="400.1" />
+  <D value="0.27948" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.32175" />
+  <B value="-3631.453" />
+  <C value="-4.444735" />
+  <D value="5.290757E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.8521E+07" />
+  <B value="2.2845" />
+  <C value="-5.7518" />
+  <D value="6.5695" />
+  <E value="-2.6976" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13616" />
+  <B value="1241.9" />
+  <C value="-7.8805" />
+  <D value="0.023826" />
+  <E value="0.0000089126" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="131.64" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97754" />
+  <B value="353.35" />
+  <C value="-1.896" />
+  <D value="0.040999" />
+  <E value="-0.000017816" />
+  <Tmin units="K"  value="131.64" />
+  <Tmax units="K"  value="250" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37573.94" />
+  <B value="-346.059" />
+  <C value="11.12596" />
+  <D value="0.00118434" />
+  <E value="-4.086847E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1196" />
+  <B value="-114.27" />
+  <C value="-4.7652" />
+  <D value="-552.86" />
+  <E value="923.94" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.661" />
+  <B value="449.83" />
+  <C value="0.0072727" />
+  <D value="-3.6906E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="248.31" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000027281" />
+  <B value="0.3952" />
+  <C value="534.12" />
+  <D value="2319" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15344" />
+  <B value="-11.847" />
+  <C value="-0.56462" />
+  <D value="-0.0022104" />
+  <E value="5.6048E-07" />
+  <Tmin units="K"  value="120.03" />
+  <Tmax units="K"  value="320.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.059968" />
+  <B value="0.26671" />
+  <C value="1018.3" />
+  <D value="1098900" />
+  <Tmin units="K"  value="248.31" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093353" />
+  <B value="46.031" />
+  <C value="-3.4828" />
+  <D value="0.0024176" />
+  <E value="-0.000014319" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="400.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36259" />
+  <B value="50.469" />
+  <C value="0.24104" />
+  <D value="-0.00029774" />
+  <E value="1.0659E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="4" />
+  <A value="14.87198" />
+  <B value="-0.0266292" />
+  <C value="-0.0000434922" />
+  <D value="0.0000000821" />
+  <Tmin units="K"  value="155" />
+  <Tmax units="K"  value="510" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.354" />
+  <B value="2237.8" />
+  <C value="-20.775" />
+  <Tmin units="K"  value="241.96" />
+  <Tmax units="K"  value="357.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.0837" />
+  <B value="-0.041241" />
+  <C value="0.000073668" />
+  <Tmin units="K"  value="131.65" />
+  <Tmax units="K"  value="248.31" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.18366" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.21E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="432" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.04503" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0233" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.670302" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1972" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0703107" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.0461" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.936" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.17891" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15212.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0703107" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-10-6" />
+<Smiles name="SMILES"  value="COC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1201" />
+<CompoundID name="Name"  value="Ethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="719" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.191" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="470.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="260.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="260.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.21922" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.0678" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.055908" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.506776" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.564E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="33840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.04E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03654" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.922E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.018E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304891" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9958000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.25835" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.0527E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.236" />
+  <B value="-0.009952" />
+  <Tmin units="K"  value="104.06" />
+  <Tmax units="K"  value="260.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3106" />
+  <B value="0.25084" />
+  <C value="720" />
+  <D value="0.21838" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="695.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.11797" />
+  <B value="-9617.267" />
+  <C value="-5.83171" />
+  <D value="-1.13705E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="720" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.414E+07" />
+  <B value="0.16807" />
+  <C value="-0.19694" />
+  <D value="1.0417" />
+  <E value="-0.61488" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="695.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24975" />
+  <B value="-137.65" />
+  <C value="6.7837" />
+  <D value="-0.041927" />
+  <E value="0.000088083" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="240" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86990" />
+  <B value="-72.326" />
+  <C value="9.7466" />
+  <D value="0.0065456" />
+  <E value="-0.0000047" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="493.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52948" />
+  <B value="-604.61" />
+  <C value="12.115" />
+  <D value="0.00010607" />
+  <E value="-4.9352E-08" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.078528" />
+  <B value="282.59" />
+  <C value="-200.74" />
+  <D value="1071400" />
+  <E value="-5423600" />
+  <Tmin units="K"  value="360" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-309.38" />
+  <B value="14928" />
+  <C value="45.49" />
+  <D value="-0.000044405" />
+  <E value="2" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2284E-07" />
+  <B value="0.79557" />
+  <C value="132.87" />
+  <D value="-5540.3" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.1684" />
+  <B value="-313.75" />
+  <C value="-1.072" />
+  <D value="-0.000058054" />
+  <E value="-0.0000032443" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="470.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-8962900" />
+  <B value="-0.31257" />
+  <C value="2.5313E+09" />
+  <D value="-1.2955E+13" />
+  <Tmin units="K"  value="279.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0064328" />
+  <B value="94.796" />
+  <C value="-3.4232" />
+  <D value="0.001824" />
+  <E value="-0.0000039732" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="470.45" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12781" />
+  <B value="255.9" />
+  <C value="-0.13868" />
+  <D value="0.000028589" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-9.798016" />
+  <B value="-14083.52" />
+  <C value="-5.743104" />
+  <Tmin units="K"  value="278" />
+  <Tmax units="K"  value="720" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.236" />
+  <B value="3826" />
+  <C value="-113.27" />
+  <Tmin units="K"  value="433.1" />
+  <Tmax units="K"  value="647.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.094" />
+  <B value="-0.068649" />
+  <C value="0.000060412" />
+  <Tmin units="K"  value="260.15" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.193662" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.361602E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="378.5562" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="57.88" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0334" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.11071" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.48683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0559089" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.41" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.25" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.48683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="33703.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0559089" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="14"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-21-1" />
+<Smiles name="SMILES"  value="OCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1820" />
+<CompoundID name="Name"  value="Dimethyl sulfide" />
+<StructureFormula name="Structure"  value="(CH3)2S" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="503" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.201" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="310.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.88" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.88" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.86415" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07377" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.19" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.374E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03814" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.724E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7302000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="285850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7984700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87394" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7443E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.669" />
+  <B value="-0.01188" />
+  <Tmin units="K"  value="69.95" />
+  <Tmax units="K"  value="174.88" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1867" />
+  <B value="0.25844" />
+  <C value="503.06" />
+  <D value="0.24773" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="503.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="14.07567" />
+  <B value="-3435.088" />
+  <C value="1.598135" />
+  <D value="-0.0000069451" />
+  <E value="2" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="503.04" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.490637E+07" />
+  <B value="1.721854" />
+  <C value="-2.161256" />
+  <D value="0.932609" />
+  <E value="-0.0179494" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="491.99" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12181" />
+  <B value="1107.6" />
+  <C value="-5.0143" />
+  <D value="0.0082042" />
+  <E value="0.000012693" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="170" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112410" />
+  <B value="-20036" />
+  <C value="201.07" />
+  <D value="-0.63397" />
+  <E value="0.0007177" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56893" />
+  <B value="-682.39" />
+  <C value="12.01" />
+  <D value="0.00013748" />
+  <E value="-5.7442E-08" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11611" />
+  <B value="-141.79" />
+  <C value="-13.232" />
+  <D value="-216.03" />
+  <E value="14.289" />
+  <Tmin units="K"  value="251.5" />
+  <Tmax units="K"  value="1760.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.044" />
+  <B value="992.97" />
+  <C value="0.60378" />
+  <D value="0.0000010306" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8631E-07" />
+  <B value="0.62748" />
+  <C value="355.22" />
+  <D value="-11800" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10006" />
+  <B value="-155.98" />
+  <C value="-0.57159" />
+  <D value="-0.0045066" />
+  <E value="-0.0000087305" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026184" />
+  <B value="0.91507" />
+  <C value="780.75" />
+  <D value="-32167" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021126" />
+  <B value="18.794" />
+  <C value="-2.708" />
+  <D value="-0.00021089" />
+  <E value="-0.0000043376" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="485.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29392" />
+  <B value="145.75" />
+  <C value="0.049554" />
+  <D value="-0.00013569" />
+  <E value="5.7869E-08" />
+  <Tmin units="K"  value="174.88" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.185871" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.142" />
+  <B value="2682.7" />
+  <C value="-31.19" />
+  <Tmin units="K"  value="303.88" />
+  <Tmax units="K"  value="451.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.3718" />
+  <B value="-0.037395" />
+  <C value="0.000048797" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="310.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20227" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.355323E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.2898" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273888" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="68.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.85309" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0291" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.848" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19359" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0730914" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5141" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.216" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7269" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.189279" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18513.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0730914" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="122"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-18-3" />
+<Smiles name="SMILES"  value="CSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1802" />
+<CompoundID name="Name"  value="Ethyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.207" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="308.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="125.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="125.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00113837" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="62.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07458" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.363E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.63E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4814000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4975000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79757" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7366E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.608" />
+  <B value="-0.018284" />
+  <Tmin units="K"  value="50.1" />
+  <Tmax units="K"  value="125.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.203" />
+  <B value="0.25909" />
+  <C value="499.16" />
+  <D value="0.26567" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="499.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="65.4773" />
+  <B value="-5020.82" />
+  <C value="-6.678317" />
+  <D value="6.449817E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="499.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.1777E+07" />
+  <B value="0.6898" />
+  <C value="-0.36317" />
+  <D value="-0.097723" />
+  <E value="0.16958" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="479.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14082" />
+  <B value="1399.4" />
+  <C value="-10.378" />
+  <D value="0.036681" />
+  <E value="-0.0000060677" />
+  <Tmin units="K"  value="14" />
+  <Tmax units="K"  value="125.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112430" />
+  <B value="-35384" />
+  <C value="348.44" />
+  <D value="-1.1065" />
+  <E value="0.0012231" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="315.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39403.72" />
+  <B value="-328.0582" />
+  <C value="11.29594" />
+  <D value="0.000950986" />
+  <E value="-3.249647E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11733" />
+  <B value="-135.4" />
+  <C value="-13.776" />
+  <D value="-593.18" />
+  <E value="775.57" />
+  <Tmin units="K"  value="249.5" />
+  <Tmax units="K"  value="1996" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.854" />
+  <B value="753.55" />
+  <C value="0.040849" />
+  <D value="-7.5884E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001695" />
+  <B value="0.75553" />
+  <C value="151.56" />
+  <D value="-5377.8" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021257" />
+  <B value="2.7237" />
+  <C value="-1.42" />
+  <D value="-0.0008779" />
+  <E value="-0.0000018277" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014607" />
+  <B value="0.7033" />
+  <C value="1243.2" />
+  <D value="53588" />
+  <Tmin units="K"  value="308.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.051518" />
+  <B value="-2.7266" />
+  <C value="-2.1105" />
+  <D value="-0.0014355" />
+  <E value="-5.6772E-07" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="479.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32377" />
+  <B value="107.68" />
+  <C value="0.17061" />
+  <D value="-0.0002733" />
+  <E value="1.0909E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.861601" />
+  <B value="-4000" />
+  <C value="-24" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.188" />
+  <B value="2662" />
+  <C value="-32.622" />
+  <Tmin units="K"  value="299.82" />
+  <Tmax units="K"  value="440.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.92662" />
+  <B value="-0.056615" />
+  <C value="0.000088024" />
+  <Tmin units="K"  value="125.26" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20227" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.219166E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.2589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="68.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.22578" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0292" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.836507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19144" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0746133" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.551747" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.3" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.763226" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003516" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.43784" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192074" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18270.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0746133" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="61"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-08-1" />
+<Smiles name="SMILES"  value="CCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1704" />
+<CompoundID name="Name"  value="Ethylamine" />
+<StructureFormula name="Structure"  value="CH3CH2NH2" />
+<Family name="Family"  value="34" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="456.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1818" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="289.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="151.827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="45.084" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06659" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.336E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03444" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.21E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.715E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.616E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="284800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9350000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91282" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.5874E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="22.309" />
+  <B value="-0.012854" />
+  <Tmin units="K"  value="76.86" />
+  <Tmax units="K"  value="192.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3663" />
+  <B value="0.25297" />
+  <C value="456.4" />
+  <D value="0.27948" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="456.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.5255" />
+  <B value="-6764.221" />
+  <C value="-14.43912" />
+  <D value="0.0000155603" />
+  <E value="2" />
+  <Tmin units="K"  value="190.85" />
+  <Tmax units="K"  value="456.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.2765E+07" />
+  <B value="0.58718" />
+  <C value="-0.33502" />
+  <D value="0.17251" />
+  <E value="-0.0015134" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="456.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19740" />
+  <B value="1233.4" />
+  <C value="-7.495" />
+  <D value="0.02025" />
+  <E value="-7.8895E-11" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129790" />
+  <B value="-12366" />
+  <C value="-31.003" />
+  <D value="0.53709" />
+  <E value="-0.00091494" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="348.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55762" />
+  <B value="-832.71" />
+  <C value="12.632" />
+  <D value="-0.00036845" />
+  <E value="1.1147E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.097539" />
+  <B value="-107.69" />
+  <C value="-12.336" />
+  <D value="-330.4" />
+  <E value="-136.4" />
+  <Tmin units="K"  value="228" />
+  <Tmax units="K"  value="1824" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.853" />
+  <B value="1619.5" />
+  <C value="5.3649" />
+  <D value="-0.000030563" />
+  <E value="2" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="289.73" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0871E-07" />
+  <B value="0.59417" />
+  <C value="255.23" />
+  <D value="-186.42" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.17744" />
+  <B value="585.82" />
+  <C value="-11.165" />
+  <D value="0.043182" />
+  <E value="-0.000095024" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.40679" />
+  <B value="0.005162" />
+  <C value="1280.6" />
+  <D value="1721800" />
+  <Tmin units="K"  value="274.01" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0085203" />
+  <B value="136.14" />
+  <C value="-4.284" />
+  <D value="0.0057402" />
+  <E value="-0.000016476" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="456.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38579" />
+  <B value="17.203" />
+  <C value="0.48199" />
+  <D value="-0.00063681" />
+  <E value="2.5301E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.139524" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.457" />
+  <B value="2460.8" />
+  <C value="-42.073" />
+  <Tmin units="K"  value="275.03" />
+  <Tmax units="K"  value="403.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.14104" />
+  <B value="-0.042353" />
+  <C value="0.000044446" />
+  <Tmin units="K"  value="192.15" />
+  <Tmax units="K"  value="289.73" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1772" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.1558E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.8617" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="52.51" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.09415" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0249" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.607317" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28709" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0656335" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.2703" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.084" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.54441" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285061" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19493.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0656335" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-04-7" />
+<Smiles name="SMILES"  value="CCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1774" />
+<CompoundID name="Name"  value="Acrylonitrile" />
+<StructureFormula name="Structure"  value="CH2CHCN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.212" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.214" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="350.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.68289" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="53.0626" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0662367" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.349801" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.464E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.29E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0351" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.837E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.937E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6230000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2803" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.69E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.906" />
+  <B value="-0.012833" />
+  <Tmin units="K"  value="75.85" />
+  <Tmax units="K"  value="189.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0816" />
+  <B value="0.2293" />
+  <C value="535" />
+  <D value="0.28939" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.54771" />
+  <B value="-6259.727" />
+  <C value="-7.785577" />
+  <D value="4.08032E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.224752E+07" />
+  <B value="0.877802" />
+  <C value="-0.432396" />
+  <D value="-0.672186" />
+  <E value="0.607598" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="378880" />
+  <B value="-12940" />
+  <C value="173.11" />
+  <D value="-0.95095" />
+  <E value="0.001872" />
+  <Tmin units="K"  value="109.32" />
+  <Tmax units="K"  value="183.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83847" />
+  <B value="240.59" />
+  <C value="6.8887" />
+  <D value="0.0095277" />
+  <E value="-0.0000046046" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42651" />
+  <B value="-533.04" />
+  <C value="11.728" />
+  <D value="0.00013096" />
+  <E value="-6.2176E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16669" />
+  <B value="-180.08" />
+  <C value="-27.078" />
+  <D value="1693.8" />
+  <E value="-10134" />
+  <Tmin units="K"  value="267.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.5429" />
+  <B value="318.29" />
+  <C value="-1.481" />
+  <D value="-8.3759E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.616E-08" />
+  <B value="0.90278" />
+  <C value="67.424" />
+  <D value="-1672.6" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15669" />
+  <B value="19.22" />
+  <C value="-1.0721" />
+  <D value="0.00025871" />
+  <E value="-0.0000022582" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0012317" />
+  <B value="1.2472" />
+  <C value="60863" />
+  <D value="-1968600" />
+  <Tmin units="K"  value="350.5" />
+  <Tmax units="K"  value="990.5" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031468" />
+  <B value="13.152" />
+  <C value="-2.5363" />
+  <D value="-0.00042782" />
+  <E value="-0.0000025175" />
+  <Tmin units="K"  value="189.63" />
+  <Tmax units="K"  value="535" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10676.73" />
+  <B value="220.6432" />
+  <C value="-0.156498" />
+  <D value="0.0000460366" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.507" />
+  <B value="-10000" />
+  <C value="-99" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.64" />
+  <B value="4865.9" />
+  <C value="50.629" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="480.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.2702" />
+  <B value="-0.022461" />
+  <C value="0.000022239" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="350.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.186019" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.077183E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="135.7552" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259865" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="59.17" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.1648" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0272" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.349801" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0662367" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.31" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.05" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.1533" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.349801" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21555.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0662367" />
+<UnifacVLE name="UNIFAC" >
+  <group id="69"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="49"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="69"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="69"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="68"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-13-1" />
+<Smiles name="SMILES"  value="C=CC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="402" />
+<CompoundID name="Name"  value="Methylacetylene" />
+<StructureFormula name="Structure"  value="CH3CCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="402.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1635" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="250.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="170.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="414.934" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="40.065" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06231" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.214" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.908E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.61E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03327" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.849E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9384E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="248360" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5350000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81477" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8487E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.138" />
+  <B value="-0.01566" />
+  <Tmin units="K"  value="68.18" />
+  <Tmax units="K"  value="170.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5983" />
+  <B value="0.26361" />
+  <C value="402.4" />
+  <D value="0.27835" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.97649" />
+  <B value="-4285.953" />
+  <C value="-7.418705" />
+  <D value="0.000010515" />
+  <E value="2" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4954E+07" />
+  <B value="0.52948" />
+  <C value="0.26449" />
+  <D value="-0.89434" />
+  <E value="0.5174" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="62910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85291" />
+  <B value="38.538" />
+  <C value="6.7428" />
+  <D value="0.016885" />
+  <E value="-0.000022161" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="249.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34169.26" />
+  <B value="-350.7621" />
+  <C value="11.18743" />
+  <D value="0.000684714" />
+  <E value="-2.185041E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.095128" />
+  <B value="-87.916" />
+  <C value="-5.1804" />
+  <D value="-112.52" />
+  <E value="81.984" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="1821" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.91891" />
+  <B value="242.44" />
+  <C value="-1.5439" />
+  <D value="5.0147E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010586" />
+  <B value="0.48791" />
+  <C value="277.58" />
+  <D value="3995.6" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065025" />
+  <B value="-121.87" />
+  <C value="-0.025752" />
+  <D value="-0.0097723" />
+  <E value="0.0000047452" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="249.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00029245" />
+  <B value="0.88088" />
+  <C value="248.57" />
+  <D value="78809" />
+  <Tmin units="K"  value="249.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013277" />
+  <B value="71.214" />
+  <C value="-3.6751" />
+  <D value="0.0034836" />
+  <E value="-0.00001379" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="402.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26257" />
+  <B value="101.52" />
+  <C value="0.09703" />
+  <D value="-0.00019256" />
+  <E value="8.3311E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.828" />
+  <B value="-1015" />
+  <C value="-6.09" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="420" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.159" />
+  <B value="2098.1" />
+  <C value="-32.215" />
+  <Tmin units="K"  value="242.07" />
+  <Tmax units="K"  value="353.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2379" />
+  <B value="-0.023223" />
+  <C value="0.000025756" />
+  <Tmin units="K"  value="170.45" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.17325" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.803432E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.8656" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2703" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.93999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02941" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0227" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.620536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2161" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0596157" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.1931" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002337" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.033" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2176" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18393.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0596157" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="53"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="66"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="65"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-99-7" />
+<Smiles name="SMILES"  value="CC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="301" />
+<CompoundID name="Name"  value="Propadiene" />
+<StructureFormula name="Structure"  value="CH2CCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="394" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5250000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1739" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.279" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="238.77" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.87" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="136.87" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.2497" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="40.065" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06095" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.122" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.911E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03084" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.70603E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.905E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.008E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="243900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4400000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.52532" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8563E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.735" />
+  <B value="-0.020311" />
+  <Tmin units="K"  value="54.75" />
+  <Tmax units="K"  value="136.87" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.86549" />
+  <B value="0.19732" />
+  <C value="394" />
+  <D value="0.21029" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="392.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.80183" />
+  <B value="-3745.303" />
+  <C value="-6.036523" />
+  <D value="8.205156E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="394" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.54657E+07" />
+  <B value="-3.722436" />
+  <C value="11.45729" />
+  <D value="-12.9266" />
+  <E value="5.522823" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="380.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="62910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78665" />
+  <B value="-12422" />
+  <C value="151.08" />
+  <D value="-0.53356" />
+  <E value="0.00065986" />
+  <Tmin units="K"  value="137.6" />
+  <Tmax units="K"  value="362.6" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34671.52" />
+  <B value="-447.4983" />
+  <C value="11.46556" />
+  <D value="0.000444481" />
+  <E value="-1.470826E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.08647" />
+  <B value="-87.335" />
+  <C value="-4.7756" />
+  <D value="123.57" />
+  <E value="-266.38" />
+  <Tmin units="K"  value="196.5" />
+  <Tmax units="K"  value="1965" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5153" />
+  <B value="310.76" />
+  <C value="-0.034725" />
+  <D value="-0.0000021543" />
+  <E value="2" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3119E-07" />
+  <B value="0.52792" />
+  <C value="129.92" />
+  <D value="8459.5" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06063" />
+  <B value="169.42" />
+  <C value="-4.6941" />
+  <D value="0.014436" />
+  <E value="-0.000036249" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000059663" />
+  <B value="1.0782" />
+  <C value="9.0271" />
+  <D value="65666" />
+  <Tmin units="K"  value="238.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.047886" />
+  <B value="-2.5247" />
+  <C value="-2.1453" />
+  <D value="-0.0026156" />
+  <E value="8.3096E-07" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="380.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28294" />
+  <B value="52.14" />
+  <C value="0.28169" />
+  <D value="-0.00042512" />
+  <E value="1.7968E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.588" />
+  <B value="-1610" />
+  <C value="-9.66" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="400" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.034" />
+  <B value="2061.4" />
+  <C value="-22.057" />
+  <Tmin units="K"  value="236.75" />
+  <Tmax units="K"  value="353.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-5.1491" />
+  <B value="-0.021234" />
+  <C value="0.000029507" />
+  <Tmin units="K"  value="136.87" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.1655" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.818957E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.7674" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.93999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.7583" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0221" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.655593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.143" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0604292" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.7917" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.528" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.79629" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3125" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17551" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0604292" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="463-49-0" />
+<Smiles name="SMILES"  value="C=C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="202" />
+<CompoundID name="Name"  value="Propylene" />
+<StructureFormula name="Structure"  value="CH2CHCH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="364.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.185" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.281" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="225.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="87.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="87.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00117" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="42.0797" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0832412" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.137588" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.2311E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="11890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03408" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.023E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.264E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="267000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2936000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.9262E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.846" />
+  <B value="-0.020946" />
+  <Tmin units="K"  value="73.15" />
+  <Tmax units="K"  value="88.1" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98129" />
+  <B value="0.22226" />
+  <C value="365.58" />
+  <D value="0.24039" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365.57" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.10362" />
+  <B value="-3330.452" />
+  <C value="-5.40588" />
+  <D value="0.0000093641" />
+  <E value="2" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365.57" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7525E+07" />
+  <B value="0.61217" />
+  <C value="-0.41646" />
+  <D value="0.083772" />
+  <E value="0.12092" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="365" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1062" />
+  <B value="-87.684" />
+  <C value="46.783" />
+  <D value="-0.8344" />
+  <E value="0.0046648" />
+  <Tmin units="K"  value="14" />
+  <Tmax units="K"  value="87.89" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79790" />
+  <B value="300.8" />
+  <C value="5.1342" />
+  <D value="0.0095615" />
+  <E value="0.000012777" />
+  <Tmin units="K"  value="87.85" />
+  <Tmax units="K"  value="340" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38965.36" />
+  <B value="-516.3838" />
+  <C value="11.75322" />
+  <D value="0.000509119" />
+  <E value="-1.771348E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.10916" />
+  <B value="-86.745" />
+  <C value="-4.9899" />
+  <D value="455.7" />
+  <E value="-924.7" />
+  <Tmin units="K"  value="182.43" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-54.05485" />
+  <B value="1437.773" />
+  <C value="7.536247" />
+  <D value="-0.0000342733" />
+  <E value="2" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.3873E-07" />
+  <B value="0.54213" />
+  <C value="262.33" />
+  <D value="-108.51" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.044587" />
+  <B value="22.061" />
+  <C value="-1.744" />
+  <D value="0.0015214" />
+  <E value="-0.0000078162" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="340.49" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000045373" />
+  <B value="1.2" />
+  <C value="415.83" />
+  <D value="2757.2" />
+  <Tmin units="K"  value="225.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012171" />
+  <B value="10.886" />
+  <C value="-2.9978" />
+  <D value="-0.00044205" />
+  <E value="-0.0000097257" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="364.85" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5083.56" />
+  <B value="225.639" />
+  <C value="-0.0999265" />
+  <D value="0.0000133106" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.10663" />
+  <B value="-5950" />
+  <C value="-35.7" />
+  <Tmin units="K"  value="208.5945" />
+  <Tmax units="K"  value="378.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.886" />
+  <B value="1932.7" />
+  <C value="-18.939" />
+  <Tmin units="K"  value="219.08" />
+  <Tmax units="K"  value="327.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.81493" />
+  <B value="-0.05511" />
+  <C value="0.000087429" />
+  <Tmin units="K"  value="87.89" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.18287" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.877396E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.8143" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2785" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="61.56" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.10396" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0249" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.520955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1455" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.068956" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.25" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.02" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006163" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.14989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1477" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13152.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.068956" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-07-1" />
+<Smiles name="SMILES"  value="C=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1051" />
+<CompoundID name="Name"  value="Acetone" />
+<StructureFormula name="Structure"  value="CH3COCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.209" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="329.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.78509" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.08" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07394" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.307" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.746E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.61E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.157E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.513E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5774000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97946" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.659E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.677" />
+  <B value="1.103E-09" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="183.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1051" />
+  <B value="0.24556" />
+  <C value="508.21" />
+  <D value="0.27409" />
+  <Tmin units="K"  value="178" />
+  <Tmax units="K"  value="508.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.77713" />
+  <B value="-5752.936" />
+  <C value="-7.680083" />
+  <D value="6.83076E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="508.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6943E+07" />
+  <B value="3.4736" />
+  <C value="-8.9271" />
+  <D value="10.062" />
+  <E value="-4.1656" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="508.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13993" />
+  <B value="1377" />
+  <C value="-8.1059" />
+  <D value="0.029271" />
+  <E value="-0.00004792" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="178.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107130" />
+  <B value="725.57" />
+  <C value="0.95296" />
+  <D value="0.025981" />
+  <E value="-0.00001439" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52915" />
+  <B value="-669.27" />
+  <C value="12.201" />
+  <D value="0.00012839" />
+  <E value="-5.8844E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11111" />
+  <B value="-97.677" />
+  <C value="-32.713" />
+  <D value="4172.3" />
+  <E value="-24006" />
+  <Tmin units="K"  value="254.1" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.064" />
+  <B value="1000.7" />
+  <C value="0.45349" />
+  <D value="3.9456E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1012E-08" />
+  <B value="0.97616" />
+  <C value="23.042" />
+  <D value="14.834" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.01013" />
+  <B value="-95.32" />
+  <C value="-0.21151" />
+  <D value="-0.0052616" />
+  <E value="0.0000023043" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-26.882" />
+  <B value="0.9036" />
+  <C value="-1.2095E+08" />
+  <D value="-6.0879E+08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036769" />
+  <B value="-1.4835" />
+  <C value="-2.315" />
+  <D value="-0.0012473" />
+  <E value="-0.000001404" />
+  <Tmin units="K"  value="178.45" />
+  <Tmax units="K"  value="490.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42620" />
+  <B value="12.563" />
+  <C value="0.4765" />
+  <D value="-0.00059673" />
+  <E value="2.2682E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="121" />
+  <A value="-21.42358" />
+  <B value="9644.46" />
+  <C value="2.243534" />
+  <D value="-0.00962352" />
+  <E value="1" />
+  <Tmin units="K"  value="294" />
+  <Tmax units="K"  value="508" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.434" />
+  <B value="2850.7" />
+  <C value="-41.681" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="456.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.32411" />
+  <B value="-0.042986" />
+  <C value="0.000056727" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="329.44" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20983" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.5E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="549" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27474" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0289" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3149" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0738386" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5735" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.336" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.27841" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3099" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19729.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0738386" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-64-1" />
+<Smiles name="SMILES"  value="CC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1302" />
+<CompoundID name="Name"  value="Ethyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH2CH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="327.47" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="193.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.1186" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08093" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.282" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.963E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04274" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.44E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.883E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.031E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="328200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9204800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91636" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.50696E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.766" />
+  <B value="-0.010171" />
+  <Tmin units="K"  value="77.42" />
+  <Tmax units="K"  value="193.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85568" />
+  <B value="0.22882" />
+  <C value="508.5" />
+  <D value="0.23792" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.04518" />
+  <B value="-5678.642" />
+  <C value="-7.031396" />
+  <D value="0.0000050057" />
+  <E value="2" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9813E+07" />
+  <B value="2.1931" />
+  <C value="-4.6587" />
+  <D value="4.7089" />
+  <E value="-1.7696" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.45" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="104870" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115910" />
+  <B value="228.3" />
+  <C value="4.0783" />
+  <D value="0.027366" />
+  <E value="-0.000029781" />
+  <Tmin units="K"  value="254.2" />
+  <Tmax units="K"  value="374.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52378" />
+  <B value="-459.08" />
+  <C value="11.875" />
+  <D value="0.00065506" />
+  <E value="-2.4832E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12511" />
+  <B value="-132.24" />
+  <C value="-21.864" />
+  <D value="-2112.2" />
+  <E value="1102.8" />
+  <Tmin units="K"  value="254.2" />
+  <Tmax units="K"  value="1779.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9483" />
+  <B value="848.56" />
+  <C value="-0.31567" />
+  <D value="2.8582E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="245" />
+  <Tmax units="K"  value="345" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.0691E-07" />
+  <B value="0.60378" />
+  <C value="450.04" />
+  <D value="-20466" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.030927" />
+  <B value="19.999" />
+  <C value="-1.4911" />
+  <D value="-0.000052048" />
+  <E value="-0.0000024111" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="381.39" />
+  <B value="0.9159" />
+  <C value="1.8E+09" />
+  <D value="-1.1462E+10" />
+  <Tmin units="K"  value="278.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02094" />
+  <B value="32.394" />
+  <C value="-2.9299" />
+  <D value="0.00035555" />
+  <E value="-0.0000045837" />
+  <Tmin units="K"  value="193.55" />
+  <Tmax units="K"  value="508.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28653" />
+  <B value="223.54" />
+  <C value="-0.054573" />
+  <D value="-0.0000084089" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.722828" />
+  <B value="-3550" />
+  <C value="-21.3" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.231" />
+  <B value="2723.8" />
+  <C value="-46.87" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="453.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.5155" />
+  <B value="-0.032057" />
+  <C value="0.000035967" />
+  <Tmin units="K"  value="245" />
+  <Tmax units="K"  value="345" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22605" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.82913E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.4384" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.06979" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0317" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.928963" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28499" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0808277" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8175" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.576" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.17409" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18938.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0808277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-94-4" />
+<Smiles name="SMILES"  value="CCOC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1312" />
+<CompoundID name="Name"  value="Methyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="506.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.228" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="330.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="175.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.01703" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07989" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.996E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04254" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.44E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.119E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.242E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="319800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7970000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96569" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.461E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.35" />
+  <B value="-0.011504" />
+  <Tmin units="K"  value="70.06" />
+  <Tmax units="K"  value="175.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98331" />
+  <B value="0.2428" />
+  <C value="506.86" />
+  <D value="0.2549" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.01817" />
+  <B value="-6288.581" />
+  <C value="-9.185862" />
+  <D value="7.595367E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9929E+07" />
+  <B value="0.79197" />
+  <C value="-0.73136" />
+  <D value="0.37429" />
+  <E value="-0.019974" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="104870" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="6314.4" />
+  <B value="680.3" />
+  <C value="4.1767" />
+  <D value="0.026148" />
+  <E value="-0.000027341" />
+  <Tmin units="K"  value="207.38" />
+  <Tmax units="K"  value="373.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62235" />
+  <B value="-685.05" />
+  <C value="12.348" />
+  <D value="0.00012363" />
+  <E value="-8.5641E-08" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12428" />
+  <B value="-150.24" />
+  <C value="-26.001" />
+  <D value="-830.67" />
+  <E value="-2742.3" />
+  <Tmin units="K"  value="253.4" />
+  <Tmax units="K"  value="1773.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="11.12" />
+  <B value="-100.13" />
+  <C value="-3.2745" />
+  <D value="-5.3051E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013226" />
+  <B value="0.48849" />
+  <C value="504.21" />
+  <D value="4.2341" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.28416" />
+  <B value="27.186" />
+  <C value="-0.94457" />
+  <D value="0.00083974" />
+  <E value="-0.0000024412" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="386.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-23257" />
+  <B value="-0.1738" />
+  <C value="1.0287E+07" />
+  <D value="-6.9243E+10" />
+  <Tmin units="K"  value="276.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.053249" />
+  <B value="2.5722" />
+  <C value="-2.2027" />
+  <D value="-0.00085349" />
+  <E value="-0.0000011835" />
+  <Tmin units="K"  value="175.15" />
+  <Tmax units="K"  value="506.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35270" />
+  <B value="119.63" />
+  <C value="0.27754" />
+  <D value="-0.0004099" />
+  <E value="1.6055E-07" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.348193" />
+  <B value="-3350" />
+  <C value="-20.1" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.435" />
+  <B value="2829.7" />
+  <C value="-44.587" />
+  <Tmin units="K"  value="305.73" />
+  <Tmax units="K"  value="454.22" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8922" />
+  <B value="-0.016855" />
+  <C value="0.000011239" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.04E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="418" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.939333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32049" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0798903" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.58" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.326" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19435.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0798903" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-20-9" />
+<Smiles name="SMILES"  value="CC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1253" />
+<CompoundID name="Name"  value="Propionic acid" />
+<StructureFormula name="Structure"  value="CH3CH2COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="604" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.233" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.207" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="252.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="252.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.1" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.079" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07497" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.544" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.107E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04342" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.535E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.568E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="294900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.066E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7827" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.395E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.159" />
+  <B value="-0.0088316" />
+  <Tmin units="K"  value="100.98" />
+  <Tmax units="K"  value="252.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88103" />
+  <B value="0.22848" />
+  <C value="612.66" />
+  <D value="0.25898" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="612.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.42" />
+  <B value="-7261.2" />
+  <C value="-4.9024" />
+  <D value="0.0000010406" />
+  <E value="2" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8878E+07" />
+  <B value="3.7167" />
+  <C value="-10.822" />
+  <D value="11.498" />
+  <E value="-4.1176" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14676" />
+  <B value="1223.1" />
+  <C value="-7.0075" />
+  <D value="0.021772" />
+  <E value="-0.000020423" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="252.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120710" />
+  <B value="704.7" />
+  <C value="1.1886" />
+  <D value="0.028883" />
+  <E value="-0.000020278" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47961" />
+  <B value="-474.81" />
+  <C value="12.167" />
+  <D value="0.00020648" />
+  <E value="-6.6213E-08" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-53.41646" />
+  <B value="2724.985" />
+  <C value="6.7143" />
+  <D value="-9.670276E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6155E-08" />
+  <B value="1.0459" />
+  <C value="-115.32" />
+  <D value="27680" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067757" />
+  <B value="-235.87" />
+  <C value="-0.022659" />
+  <D value="-0.0065033" />
+  <E value="0.0000026666" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="543.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.004145" />
+  <B value="0.70902" />
+  <C value="13255" />
+  <D value="-4962900" />
+  <Tmin units="K"  value="414.32" />
+  <Tmax units="K"  value="616.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010977" />
+  <B value="146.33" />
+  <C value="-4.0999" />
+  <D value="0.0031834" />
+  <E value="-0.0000071046" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="600.81" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8861" />
+  <B value="324.07" />
+  <C value="-0.19078" />
+  <D value="0.000043643" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.46964" />
+  <B value="-1550" />
+  <C value="-9.3" />
+  <Tmin units="K"  value="268.5945" />
+  <Tmax units="K"  value="438.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.83" />
+  <B value="4099" />
+  <C value="-51.622" />
+  <Tmin units="K"  value="362.46" />
+  <Tmax units="K"  value="527.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.81021" />
+  <B value="-0.03741" />
+  <C value="0.000039093" />
+  <Tmin units="K"  value="252.45" />
+  <Tmax units="K"  value="414.32" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230362" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.600915E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="135.9701" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="4.20003" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0303" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.52" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0749523" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.58" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-9.25219" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.52" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19130.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0749523" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-09-4" />
+<Smiles name="SMILES"  value="CCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1876" />
+<CompoundID name="Name"  value="N,n-dimethylformamide" />
+<StructureFormula name="Structure"  value="HCON(CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="649.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26199" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.214" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="212.72" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="212.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.195325" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="73.0938" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0773903" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.31771" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.027E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.27E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04681" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.917E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.84E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="326000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.615E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.19402" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.78871E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.71" />
+  <B value="-0.0092912" />
+  <Tmin units="K"  value="85.09" />
+  <Tmax units="K"  value="212.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65216" />
+  <B value="0.20032" />
+  <C value="649.6" />
+  <D value="0.24418" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.99879" />
+  <B value="-7311.388" />
+  <C value="-6.749791" />
+  <D value="3.063845E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7496E+07" />
+  <B value="0.2466" />
+  <C value="0.21619" />
+  <D value="-0.11587" />
+  <E value="0.026126" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21466" />
+  <B value="82.722" />
+  <C value="-0.65111" />
+  <D value="0.003066" />
+  <E value="-0.0000053042" />
+  <Tmin units="K"  value="83" />
+  <Tmax units="K"  value="208" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141440" />
+  <B value="162.91" />
+  <C value="4.0696" />
+  <D value="0.019381" />
+  <E value="-0.000013063" />
+  <Tmin units="K"  value="273.82" />
+  <Tmax units="K"  value="466.44" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68728" />
+  <B value="-846.07" />
+  <C value="13.139" />
+  <D value="-0.00064688" />
+  <E value="1.6133E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30845" />
+  <B value="-426.73" />
+  <C value="-16.98" />
+  <D value="-72873" />
+  <E value="162690" />
+  <Tmin units="K"  value="298.28" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.089031" />
+  <B value="826.091" />
+  <C value="-0.0843389" />
+  <D value="-3.479212E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000034602" />
+  <B value="0.37991" />
+  <C value="1156.9" />
+  <D value="8715.8" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14084" />
+  <B value="-2496" />
+  <C value="20.244" />
+  <D value="-0.064914" />
+  <E value="0.000049356" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015205" />
+  <B value="0.35461" />
+  <C value="594.92" />
+  <D value="741220" />
+  <Tmin units="K"  value="425.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.069456" />
+  <B value="-10.189" />
+  <C value="-1.894" />
+  <D value="-0.0010897" />
+  <E value="-1.2078E-07" />
+  <Tmin units="K"  value="212.72" />
+  <Tmax units="K"  value="649.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6716" />
+  <B value="349.57" />
+  <C value="-0.18657" />
+  <D value="0.000033656" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.780432" />
+  <B value="-10711.33" />
+  <C value="-45.18602" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="649" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.586" />
+  <B value="3764.7" />
+  <C value="-50.993" />
+  <Tmin units="K"  value="396.67" />
+  <Tmax units="K"  value="580.62" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.0021666" />
+  <B value="-0.035024" />
+  <C value="0.000037609" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="425.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.24059" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.594689E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="164.8347" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.74822" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0342" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.953395" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3672" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0773743" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.0856" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.60584" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.375516" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23964.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0773743" />
+<UnifacVLE name="UNIFAC" >
+  <group id="72"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="72"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="72"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="72"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="68-12-2" />
+<Smiles name="SMILES"  value="CN(C)C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3" />
+<CompoundID name="Name"  value="Propane" />
+<StructureFormula name="Structure"  value="CH3CH2CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="369.83" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4248000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="231.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="85.47" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="85.47" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0001685" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="44.097" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07487" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.152" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.431E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03757" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.0468E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.439E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="270200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3524000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75108" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.04311E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.861" />
+  <B value="-0.020332" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="85.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3186" />
+  <B value="0.27005" />
+  <C value="369.86" />
+  <D value="0.27852" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="369.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.2725" />
+  <B value="-3396.946" />
+  <C value="-5.423393" />
+  <D value="8.953731E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="371.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0459E+07" />
+  <B value="1.2001" />
+  <C value="-2.1107" />
+  <D value="1.9732" />
+  <E value="-0.65316" />
+  <Tmin units="K"  value="85.44" />
+  <Tmax units="K"  value="369.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9928.1" />
+  <B value="957.89" />
+  <C value="-0.77533" />
+  <D value="-0.03376" />
+  <E value="0.00014632" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="84" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87486" />
+  <B value="-13371" />
+  <C value="156.92" />
+  <D value="-0.5459" />
+  <E value="0.00068504" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37840.4" />
+  <B value="-445.5789" />
+  <C value="11.83871" />
+  <D value="0.000653764" />
+  <E value="-2.200137E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12162" />
+  <B value="-107.8" />
+  <C value="-3.8081" />
+  <D value="-15.233" />
+  <E value="-13.005" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="1849.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-35.23159" />
+  <B value="966.1472" />
+  <C value="4.395026" />
+  <D value="-0.0000255079" />
+  <E value="2" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7422E-08" />
+  <B value="0.90416" />
+  <C value="-4.7484" />
+  <D value="478.57" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02937" />
+  <B value="-16.323" />
+  <C value="-1.3313" />
+  <D value="-0.0012596" />
+  <E value="-0.000011206" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="350" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1.139" />
+  <B value="0.10904" />
+  <C value="-9898.6" />
+  <D value="-7669600" />
+  <Tmin units="K"  value="231.11" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093557" />
+  <B value="17.245" />
+  <C value="-3.1909" />
+  <D value="0.00024043" />
+  <E value="-0.000011944" />
+  <Tmin units="K"  value="85.44" />
+  <Tmax units="K"  value="369.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="31986" />
+  <B value="42.662" />
+  <C value="0.49978" />
+  <D value="-0.00065626" />
+  <E value="0.000000256" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.381181" />
+  <B value="-800" />
+  <C value="-4.8" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="424.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.04" />
+  <B value="2072.9" />
+  <C value="-13.18" />
+  <Tmin units="K"  value="222" />
+  <Tmax units="K"  value="332.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.343" />
+  <B value="-0.040027" />
+  <C value="0.00005517" />
+  <Tmin units="K"  value="85.47" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20008" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.114825E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="234.5244" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2763" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="66.17999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.31941" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0268" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.506678" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1532" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0757055" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.4766" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.236" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.236" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003791" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59617" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1538" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13091.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.084" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-98-6" />
+<Smiles name="SMILES"  value="CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1104" />
+<CompoundID name="Name"  value="Isopropanol" />
+<StructureFormula name="Structure"  value="CH3CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="508.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4762000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="355.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0363946" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07692" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.665" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.807E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04216" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.727E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.7347E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5410000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1433" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.83E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.573" />
+  <B value="-0.011338" />
+  <Tmin units="K"  value="74.11" />
+  <Tmax units="K"  value="185.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1898" />
+  <B value="0.26648" />
+  <C value="508.3" />
+  <D value="0.23986" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.70856" />
+  <B value="-7630.115" />
+  <C value="-7.63517" />
+  <D value="9.965114E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.100995E+08" />
+  <B value="4.1961" />
+  <C value="-10.70959" />
+  <D value="11.69444" />
+  <E value="-4.625499" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="508.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5999" />
+  <B value="747.79" />
+  <C value="1.6541" />
+  <D value="-0.049958" />
+  <E value="0.0001963" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="185.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-188260" />
+  <B value="277.99" />
+  <C value="9.4459" />
+  <D value="0.010702" />
+  <E value="-0.0000091964" />
+  <Tmin units="K"  value="185.26" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="52738" />
+  <B value="-555.28" />
+  <C value="12.347" />
+  <D value="0.000094247" />
+  <E value="-4.5945E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.085006" />
+  <B value="-95.666" />
+  <C value="-21.924" />
+  <D value="-3475.4" />
+  <E value="-29704" />
+  <Tmin units="K"  value="279" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.4407" />
+  <B value="2259.7" />
+  <C value="-1.1149" />
+  <D value="0.0000002963" />
+  <E value="2" />
+  <Tmin units="K"  value="187.35" />
+  <Tmax units="K"  value="355.41" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9931E-07" />
+  <B value="0.72329" />
+  <C value="178.01" />
+  <D value="-15.318" />
+  <Tmin units="K"  value="185.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15761" />
+  <B value="49.41" />
+  <C value="-1.6579" />
+  <D value="0.0019566" />
+  <E value="-0.0000034939" />
+  <Tmin units="K"  value="183.65" />
+  <Tmax units="K"  value="410.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0028843" />
+  <B value="0.91609" />
+  <C value="11082" />
+  <D value="-222500" />
+  <Tmin units="K"  value="278.59" />
+  <Tmax units="K"  value="995.41" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0068771" />
+  <B value="-355.64" />
+  <C value="0.079386" />
+  <D value="-0.0097522" />
+  <E value="0.0000049723" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="355.41" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27720" />
+  <B value="156.75" />
+  <C value="0.30298" />
+  <D value="-0.00050843" />
+  <E value="2.1144E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-22.81" />
+  <B value="-10000" />
+  <C value="-60.54" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.151" />
+  <B value="2836.6" />
+  <C value="-88.244" />
+  <Tmin units="K"  value="305.37" />
+  <Tmax units="K"  value="457.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="14.129" />
+  <B value="-0.10641" />
+  <C value="0.00012806" />
+  <Tmin units="K"  value="187.35" />
+  <Tmax units="K"  value="355.41" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23883" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.64E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="518" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2493" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.2725" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0368" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.786" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.66368" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0768988" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.78" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.89" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.140334" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.269059" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-7.9945" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.7238" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23408.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0768988" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="16"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-63-0" />
+<Smiles name="SMILES"  value="CC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1103" />
+<CompoundID name="Name"  value="1-propanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)2OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.78" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5175000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="146.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="146.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.69121E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07514" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.629" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.552E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.599E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="322470" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5372000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1406" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.84381E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.17" />
+  <B value="-0.0024097" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="156.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1537" />
+  <B value="0.26188" />
+  <C value="536.78" />
+  <D value="0.23549" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.3971" />
+  <B value="-10434.27" />
+  <C value="-17.45829" />
+  <D value="0.0000113246" />
+  <E value="2" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.36461E+07" />
+  <B value="3.338812" />
+  <C value="-9.831137" />
+  <D value="11.8901" />
+  <E value="-4.905709" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="536.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11319" />
+  <B value="1041" />
+  <C value="-3.5625" />
+  <D value="-0.011478" />
+  <E value="0.00010513" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="148.74" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100520" />
+  <B value="125.3" />
+  <C value="4.7194" />
+  <D value="0.024513" />
+  <E value="-0.000019669" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56681" />
+  <B value="-627.22" />
+  <C value="12.379" />
+  <D value="0.00012228" />
+  <E value="-5.0293E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037896" />
+  <B value="-44.849" />
+  <C value="-35.117" />
+  <D value="410.57" />
+  <E value="-27077" />
+  <Tmin units="K"  value="295.19" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-98.08798" />
+  <B value="4904.749" />
+  <C value="13.57131" />
+  <D value="-0.0000219968" />
+  <E value="2" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="370.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9322E-07" />
+  <B value="0.54936" />
+  <C value="416.77" />
+  <D value="-100.81" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.076645" />
+  <B value="-189.91" />
+  <C value="-0.13475" />
+  <D value="-0.0069283" />
+  <E value="0.0000033645" />
+  <Tmin units="K"  value="164.06" />
+  <Tmax units="K"  value="380.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-453.4" />
+  <B value="0.64532" />
+  <C value="-2.843E+08" />
+  <D value="-2.8865E+10" />
+  <Tmin units="K"  value="275.28" />
+  <Tmax units="K"  value="720.25" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044121" />
+  <B value="-393.81" />
+  <C value="0.44289" />
+  <D value="-0.010936" />
+  <E value="0.0000062593" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="370.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39178" />
+  <B value="54.585" />
+  <C value="0.52464" />
+  <D value="-0.00069351" />
+  <E value="2.6739E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.3" />
+  <B value="-10000" />
+  <C value="-30" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.11" />
+  <B value="2968.4" />
+  <C value="-89.944" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="482.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="16.105" />
+  <B value="-0.12454" />
+  <C value="0.00016492" />
+  <Tmin units="K"  value="146.95" />
+  <Tmax units="K"  value="370.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23623" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.71E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="495" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2451" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.198" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.038" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.62489" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0749393" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.78" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.89" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.169684" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.188769" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.4989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.623" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24557.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0749393" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="15"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-23-8" />
+<Smiles name="SMILES"  value="CCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1703" />
+<CompoundID name="Name"  value="Trimethylamine" />
+<StructureFormula name="Structure"  value="(CH3)3N" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="433.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4075000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="156.08" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="156.08" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.92058" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="59.111" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09428" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.206243" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.691E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.04E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04534" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.431E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.899E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="287000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6544000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78024" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2449E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.673" />
+  <B value="-0.011817" />
+  <Tmin units="K"  value="62.43" />
+  <Tmax units="K"  value="156.08" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67928" />
+  <B value="0.21649" />
+  <C value="433.3" />
+  <D value="0.20925" />
+  <Tmin units="K"  value="156" />
+  <Tmax units="K"  value="433.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.254" />
+  <B value="-5770.536" />
+  <C value="-14.1719" />
+  <D value="0.0000238614" />
+  <E value="2" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="433.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.743116E+07" />
+  <B value="0.966273" />
+  <C value="0.752593" />
+  <D value="-2.762744" />
+  <E value="1.513109" />
+  <Tmin units="K"  value="156.07" />
+  <Tmax units="K"  value="433.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12954" />
+  <B value="1371.3" />
+  <C value="-11.233" />
+  <D value="0.058409" />
+  <E value="-0.00010157" />
+  <Tmin units="K"  value="11.87" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112140" />
+  <B value="1253.3" />
+  <C value="-12.905" />
+  <D value="0.10424" />
+  <E value="-0.00013798" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="276.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65203" />
+  <B value="-794.87" />
+  <C value="12.953" />
+  <D value="-0.00031634" />
+  <E value="6.4426E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15207" />
+  <B value="-148.22" />
+  <C value="-10.138" />
+  <D value="-64.001" />
+  <E value="-71.395" />
+  <Tmin units="K"  value="216.6" />
+  <Tmax units="K"  value="1732.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.9961" />
+  <B value="-126.46" />
+  <C value="-3.1956" />
+  <D value="-6.7828E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001161" />
+  <B value="0.48519" />
+  <C value="364.43" />
+  <D value="10928" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0043132" />
+  <B value="-14.875" />
+  <C value="-1.2529" />
+  <D value="-0.0019969" />
+  <E value="-0.0000017575" />
+  <Tmin units="K"  value="156.07" />
+  <Tmax units="K"  value="276.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00027205" />
+  <B value="0.90104" />
+  <C value="140.75" />
+  <D value="139110" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074159" />
+  <B value="80.747" />
+  <C value="-4.002" />
+  <D value="0.0040961" />
+  <E value="-0.000015382" />
+  <Tmin units="K"  value="156.08" />
+  <Tmax units="K"  value="433.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13802" />
+  <B value="231.97" />
+  <C value="0.20928" />
+  <D value="-0.00042379" />
+  <E value="1.8209E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.800705" />
+  <B value="-1250" />
+  <C value="-7.5" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.042" />
+  <B value="2412.6" />
+  <C value="-22.718" />
+  <Tmin units="K"  value="260.65" />
+  <Tmax units="K"  value="389.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.3856" />
+  <B value="-0.019318" />
+  <C value="0.000016915" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="308.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.24421" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.789818E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="240.589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="73.03" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15515" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0322" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.640181" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0902163" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.99" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.64" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.42677" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.205" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15311.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0902163" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="35"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="35"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="34"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-50-3" />
+<Smiles name="SMILES"  value="CN(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="418" />
+<CompoundID name="Name"  value="Vinylacetylene" />
+<StructureFormula name="Structure"  value="CH2CHCCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="454" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.205" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="278.25" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="52.0746" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0769826" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.106852" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04001" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.66E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.046E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.06E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="279400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.62332" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.362E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.306" />
+  <B value="-0.0011393" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="179.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2594" />
+  <B value="0.25931" />
+  <C value="454" />
+  <D value="0.29553" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.0442" />
+  <B value="-5001.865" />
+  <C value="-8.984128" />
+  <D value="0.0000129415" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="454" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.313507E+07" />
+  <B value="-0.0105563" />
+  <C value="0.71867" />
+  <D value="-0.291074" />
+  <E value="0.0215152" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="103140" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68382" />
+  <B value="-63.514" />
+  <C value="9.912" />
+  <D value="0.0031404" />
+  <E value="-1.0307E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="278.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49981" />
+  <B value="-581.7" />
+  <C value="12.052" />
+  <D value="-0.00010825" />
+  <E value="3.173E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12452" />
+  <B value="-135.51" />
+  <C value="-8.7131" />
+  <D value="845.68" />
+  <E value="-2148" />
+  <Tmin units="K"  value="227" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.2453" />
+  <B value="320.68" />
+  <C value="-1.2895" />
+  <D value="-5.6512E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="364" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7484E-07" />
+  <B value="0.5304" />
+  <C value="230.17" />
+  <D value="-0.0024795" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.05887" />
+  <B value="-27.718" />
+  <C value="-0.92317" />
+  <D value="-0.0023581" />
+  <E value="1.5773E-07" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="278.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000054197" />
+  <B value="1.0632" />
+  <C value="-70.589" />
+  <D value="90617" />
+  <Tmin units="K"  value="278.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12991" />
+  <B value="-13.795" />
+  <C value="-1.4402" />
+  <D value="-0.0017832" />
+  <E value="0.0000011318" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="439.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6742.516" />
+  <B value="283.8803" />
+  <C value="-0.226384" />
+  <D value="0.0000745714" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.717" />
+  <B value="2173" />
+  <C value="-42.271" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="454" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.5937" />
+  <B value="-0.024995" />
+  <C value="0.000028281" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="364" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.19966" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.439658E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.3258" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.281184" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.84" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.15143" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.028" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.688432" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.13346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0740148" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.526" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.94" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.68289" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.11815" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17035" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0740148" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="8"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="66"  value="1" />
+  <group id="8"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="65"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="689-97-4" />
+<Smiles name="SMILES"  value="C=CC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1821" />
+<CompoundID name="Name"  value="Thiophene" />
+<StructureFormula name="Structure"  value="-S(CH)4-" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="580" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="357.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.94" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.94" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="185.638" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.142" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07947" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.186" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.781E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04354" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.05E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.1544E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.267E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="278400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5085600" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84548" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4352E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.705" />
+  <B value="-0.010977" />
+  <Tmin units="K"  value="88.15" />
+  <Tmax units="K"  value="234.94" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73395" />
+  <B value="0.21494" />
+  <C value="580" />
+  <D value="0.2288" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.26733" />
+  <B value="-6809.188" />
+  <C value="-9.975872" />
+  <D value="0.0000074967" />
+  <E value="2" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="579.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.87E+07" />
+  <B value="0.35468" />
+  <C value="0.57965" />
+  <D value="-0.92941" />
+  <E value="0.39593" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9558700" />
+  <B value="185260" />
+  <C value="-1322.1" />
+  <D value="4.147" />
+  <E value="-0.0048149" />
+  <Tmin units="K"  value="169.71" />
+  <Tmax units="K"  value="266.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84631" />
+  <B value="-77.085" />
+  <C value="9.4174" />
+  <D value="0.0060386" />
+  <E value="-0.0000042543" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="357.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31580" />
+  <B value="-546.03" />
+  <C value="12.548" />
+  <D value="-0.00032144" />
+  <E value="9.6227E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14506" />
+  <B value="-254.09" />
+  <C value="-14.715" />
+  <D value="-955.11" />
+  <E value="2193.7" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.561" />
+  <B value="1306.6" />
+  <C value="0.66009" />
+  <D value="3.2071E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010722" />
+  <B value="0.54275" />
+  <C value="557.27" />
+  <D value="2874.5" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.024119" />
+  <B value="-20.319" />
+  <C value="-1.5338" />
+  <D value="-0.0014869" />
+  <E value="-6.6677E-07" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013168" />
+  <B value="0.98328" />
+  <C value="649.4" />
+  <D value="-5290.1" />
+  <Tmin units="K"  value="357.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069688" />
+  <B value="140.5" />
+  <C value="-4.0531" />
+  <D value="0.0044052" />
+  <E value="-0.000011144" />
+  <Tmin units="K"  value="234.94" />
+  <Tmax units="K"  value="579.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25467" />
+  <B value="12.638" />
+  <C value="0.79104" />
+  <D value="-0.0011748" />
+  <E value="5.0619E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.19455" />
+  <B value="-1400" />
+  <C value="-8.4" />
+  <Tmin units="K"  value="269.7056" />
+  <Tmax units="K"  value="439.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.049" />
+  <B value="2962.4" />
+  <C value="-46.375" />
+  <Tmin units="K"  value="351.52" />
+  <Tmax units="K"  value="513.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.34111" />
+  <B value="-0.034802" />
+  <C value="0.000037492" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.22777" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.880023E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="265.0838" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64559" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0333" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.071" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19336" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0794773" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8569" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.14" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5664" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.192846" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20219.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0794773" />
+<UnifacVLE name="UNIFAC" >
+  <group id="106"  value="1" />
+  </UnifacVLE>
+<GCmethod name="PPR78" >
+  <group id="106"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="106"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="110-02-1" />
+<Smiles name="SMILES"  value="S1C=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1775" />
+<CompoundID name="Name"  value="Methacrylonitrile" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="554" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.265" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.223" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="237.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="237.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="268.868" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="67.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0844058" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301271" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.172E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04532" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.803E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.64E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="223800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92207" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.243E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.205" />
+  <B value="-0.0076417" />
+  <Tmin units="K"  value="94.94" />
+  <Tmax units="K"  value="237.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89537" />
+  <B value="0.23729" />
+  <C value="554" />
+  <D value="0.29629" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.07917" />
+  <B value="-5342.951" />
+  <C value="-5.152858" />
+  <D value="4.011012E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.65" />
+  <Tmax units="K"  value="554" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4103E+07" />
+  <B value="0.56334" />
+  <C value="-0.51577" />
+  <D value="0.31852" />
+  <E value="-0.072403" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5234" />
+  <B value="706.96" />
+  <C value="-1.4898" />
+  <D value="0.0041536" />
+  <E value="-0.000005155" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="237.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125060" />
+  <B value="169.88" />
+  <C value="6.1441" />
+  <D value="0.015707" />
+  <E value="-0.000014502" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68640" />
+  <B value="-664.02" />
+  <C value="12.252" />
+  <D value="0.000039427" />
+  <E value="-4.9098E-08" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1600.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19092" />
+  <B value="-216.75" />
+  <C value="-39.481" />
+  <D value="-32963" />
+  <E value="57710" />
+  <Tmin units="K"  value="277" />
+  <Tmax units="K"  value="1771" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.973" />
+  <B value="1174.5" />
+  <C value="0.57272" />
+  <D value="-0.0000017357" />
+  <E value="2" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3003E-07" />
+  <B value="0.64938" />
+  <C value="329.57" />
+  <D value="-240" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.095479" />
+  <B value="1984.5" />
+  <C value="-23.334" />
+  <D value="0.076497" />
+  <E value="-0.000098215" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0010085" />
+  <B value="1.2282" />
+  <C value="49915" />
+  <D value="0.89214" />
+  <Tmin units="K"  value="363.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074463" />
+  <B value="179.83" />
+  <C value="-4.4863" />
+  <D value="0.0047455" />
+  <E value="-0.000011145" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="537.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23959" />
+  <B value="264.31" />
+  <C value="-0.1392" />
+  <D value="0.000026399" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="1600.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.733" />
+  <B value="3597.2" />
+  <C value="-11.461" />
+  <Tmin units="K"  value="337.34" />
+  <Tmax units="K"  value="487.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.5428" />
+  <B value="-0.036813" />
+  <C value="0.000040428" />
+  <Tmin units="K"  value="237.35" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.240561" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.255952E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="163.0499" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="79.69" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0333" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804731" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301271" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0844058" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.987475" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.712" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301271" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19094" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0844058" />
+<CAS name="CAS number"  value="126-98-7" />
+<Smiles name="SMILES"  value="C=C(C)C#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="404" />
+<CompoundID name="Name"  value="Dimethylacetylene" />
+<StructureFormula name="Structure"  value="CH3CCCH3" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="473.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="300.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.91" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6121.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.0904" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0788997" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.238542" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.519E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.32E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04344" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.457E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.849E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="283300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9234000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.843411" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4189E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.891" />
+  <B value="1.4333E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1717" />
+  <B value="0.25895" />
+  <C value="473.2" />
+  <D value="0.27289" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="460.97" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="66.56107" />
+  <B value="-4998.053" />
+  <C value="-6.834282" />
+  <D value="6.682052E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="235.35" />
+  <Tmax units="K"  value="473.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4761730" />
+  <B value="-11.5565" />
+  <C value="30.6629" />
+  <D value="-31.89366" />
+  <E value="12.67797" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="483.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22058" />
+  <B value="1434.2" />
+  <C value="-6.035" />
+  <D value="-0.0026008" />
+  <E value="0.00007651" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="140" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116500" />
+  <B value="35.116" />
+  <C value="5.8634" />
+  <D value="0.0049877" />
+  <E value="0.000013087" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="416.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62226" />
+  <B value="-826.04" />
+  <C value="12.513" />
+  <D value="-0.0002013" />
+  <E value="4.9424E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1305" />
+  <B value="-139.22" />
+  <C value="-10.692" />
+  <D value="-76.88" />
+  <E value="-253.62" />
+  <Tmin units="K"  value="244" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.045622" />
+  <B value="305.04" />
+  <C value="-1.6582" />
+  <D value="-4.749E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="371" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021802" />
+  <B value="0.39407" />
+  <C value="508.41" />
+  <D value="3758" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0074431" />
+  <B value="-154.13" />
+  <C value="-0.25098" />
+  <D value="-0.0046292" />
+  <E value="-7.3662E-08" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="428.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021497" />
+  <B value="0.91998" />
+  <C value="214.54" />
+  <D value="130500" />
+  <Tmin units="K"  value="276.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0028208" />
+  <B value="1162.8" />
+  <C value="-14.995" />
+  <D value="0.042251" />
+  <E value="-0.000058944" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="488.68" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24704" />
+  <B value="201.33" />
+  <C value="-0.063295" />
+  <D value="0.0000018433" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.304" />
+  <B value="2609.4" />
+  <C value="-33.287" />
+  <Tmin units="K"  value="286.57" />
+  <Tmax units="K"  value="424.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.9474" />
+  <B value="-0.021183" />
+  <C value="0.000020132" />
+  <Tmin units="K"  value="240.91" />
+  <Tmax units="K"  value="371" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.334271E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.3209" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0302" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.695843" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.238542" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0789036" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8635" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.48" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.109294" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17463.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0789036" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="67"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="54"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="67"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="66"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="503-17-3" />
+<Smiles name="SMILES"  value="CC#CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="403" />
+<CompoundID name="Name"  value="Ethylacetylene" />
+<StructureFormula name="Structure"  value="CH3CH2CCH" />
+<Family name="Family"  value="15" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="440" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.208" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="281.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="147.429" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="147.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.17966" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.092" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08322" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.616E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0435" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.652E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.0225E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="290390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6029270" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86034" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4647E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.004" />
+  <B value="-0.015369" />
+  <Tmin units="K"  value="58.97" />
+  <Tmax units="K"  value="147.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3447" />
+  <B value="0.27928" />
+  <C value="440" />
+  <D value="0.29778" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="76.044" />
+  <B value="-5031.59" />
+  <C value="-8.40406" />
+  <D value="9.681824E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.604722E+07" />
+  <B value="0.546439" />
+  <C value="-0.26185" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="463.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16604" />
+  <B value="1465.2" />
+  <C value="-11.028" />
+  <D value="0.042838" />
+  <E value="-0.000042808" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="140" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109820" />
+  <B value="1148.7" />
+  <C value="-9.607" />
+  <D value="0.084548" />
+  <E value="-0.00010384" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="298.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44709" />
+  <B value="-441.89" />
+  <C value="11.889" />
+  <D value="0.00039371" />
+  <E value="-1.2645E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11439" />
+  <B value="-115.33" />
+  <C value="-13.916" />
+  <D value="565.16" />
+  <E value="-1644.3" />
+  <Tmin units="K"  value="231.85" />
+  <Tmax units="K"  value="1896" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.3451" />
+  <B value="354.46" />
+  <C value="-0.92921" />
+  <D value="-0.0000006027" />
+  <E value="2" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000027867" />
+  <B value="0.37696" />
+  <C value="663.32" />
+  <D value="30.832" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="800" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032845" />
+  <B value="13.956" />
+  <C value="-1.5811" />
+  <D value="-0.00025138" />
+  <E value="-0.0000029965" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000036868" />
+  <B value="1.1429" />
+  <C value="-57.854" />
+  <D value="83816" />
+  <Tmin units="K"  value="281.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018233" />
+  <B value="58.318" />
+  <C value="-3.4452" />
+  <D value="0.0022742" />
+  <E value="-0.0000088254" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="440" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24902" />
+  <B value="172.94" />
+  <C value="0.12971" />
+  <D value="-0.00028785" />
+  <E value="1.2671E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.172" />
+  <B value="2381.3" />
+  <C value="-34.36" />
+  <Tmin units="K"  value="264.46" />
+  <Tmax units="K"  value="393.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.5057" />
+  <B value="-0.026061" />
+  <C value="0.000030844" />
+  <Tmin units="K"  value="147.43" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.230791" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.516173E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="231.3399" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0299" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.659288" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.246864" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0809511" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8675" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.476" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.246864" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16554" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0809511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="66"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="53"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="66"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-00-6" />
+<Smiles name="SMILES"  value="CCC#C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="302" />
+<CompoundID name="Name"  value="1,2-butadiene" />
+<StructureFormula name="Structure"  value="CH2CCHCH3" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="452" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.22" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="284" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="136.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="136.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.4472" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.0904" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0838169" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.165877" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.724E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04104" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.623E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.986E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="293000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6962000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86993" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4617E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.23" />
+  <B value="-0.016101" />
+  <Tmin units="K"  value="54.78" />
+  <Tmax units="K"  value="136.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.86492" />
+  <B value="0.22148" />
+  <C value="452" />
+  <D value="0.28373" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.27585" />
+  <B value="-4559.624" />
+  <C value="-4.46417" />
+  <D value="-6.771964E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.715905E+07" />
+  <B value="0.824251" />
+  <C value="0.000387028" />
+  <D value="-2.253417" />
+  <E value="2.024613" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12633" />
+  <B value="1064.1" />
+  <C value="-2.6638" />
+  <D value="-0.022763" />
+  <E value="0.00013729" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="135" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109750" />
+  <B value="-2425.1" />
+  <C value="12.655" />
+  <D value="0.059068" />
+  <E value="-0.00014415" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="290" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39504.04" />
+  <B value="-354.1475" />
+  <C value="11.62099" />
+  <D value="0.00074321" />
+  <E value="-2.513775E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12404" />
+  <B value="-118.51" />
+  <C value="-9.2537" />
+  <D value="405.61" />
+  <E value="-950.52" />
+  <Tmin units="K"  value="212.5" />
+  <Tmax units="K"  value="1912.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.9134" />
+  <B value="468.65" />
+  <C value="-0.069814" />
+  <D value="2.8031E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="389.66" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4328E-07" />
+  <B value="0.52378" />
+  <C value="170.73" />
+  <D value="9690.7" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.29344" />
+  <B value="3.1314" />
+  <C value="-0.70701" />
+  <D value="-0.00052702" />
+  <E value="-3.6665E-07" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="424.31" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000085434" />
+  <B value="1.0359" />
+  <C value="127.53" />
+  <D value="78342" />
+  <Tmin units="K"  value="272.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071904" />
+  <B value="58.358" />
+  <C value="-3.6032" />
+  <D value="0.002556" />
+  <E value="-0.000013035" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="452" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9801.858" />
+  <B value="280.0477" />
+  <C value="-0.159682" />
+  <D value="0.0000372564" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.862" />
+  <B value="2320" />
+  <C value="-35.494" />
+  <Tmin units="K"  value="273.29" />
+  <Tmax units="K"  value="402.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.9521" />
+  <B value="-0.026624" />
+  <C value="0.000034949" />
+  <Tmin units="K"  value="136.95" />
+  <Tmax units="K"  value="389.66" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.21829" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.805919E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="215.5739" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.09464" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0295" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.6507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2492" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0816506" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.466" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.024" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.90162" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3394" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16360.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0816506" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="4"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-19-2" />
+<Smiles name="SMILES"  value="C=C=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="303" />
+<CompoundID name="Name"  value="1,3-butadiene" />
+<StructureFormula name="Structure"  value="CH2CHCHCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="425" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="268.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="69.1989" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="54.092" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08804" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.195" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.602E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04082" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.0924E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4972E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="278890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7984000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78024" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.409E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.877" />
+  <B value="-5.0524E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3314" />
+  <B value="0.28213" />
+  <C value="425" />
+  <D value="0.30137" />
+  <Tmin units="K"  value="164.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="64.81816" />
+  <B value="-4314.788" />
+  <C value="-6.766483" />
+  <D value="8.589719E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164" />
+  <Tmax units="K"  value="425.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4211E+07" />
+  <B value="0.45981" />
+  <C value="0.016247" />
+  <D value="-0.15407" />
+  <E value="0.054476" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="413.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6476.2" />
+  <B value="813.54" />
+  <C value="1.359" />
+  <D value="-0.057544" />
+  <E value="0.00024886" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="164.24" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88166" />
+  <B value="583.44" />
+  <C value="1.8231" />
+  <D value="0.030118" />
+  <E value="-0.000025695" />
+  <Tmin units="K"  value="164.24" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38238.49" />
+  <B value="-511.235" />
+  <C value="12.39338" />
+  <D value="-0.000121482" />
+  <E value="4.39211E-08" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12533" />
+  <B value="-119.09" />
+  <C value="-9.668" />
+  <D value="379.91" />
+  <E value="-922.02" />
+  <Tmin units="K"  value="169" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="12.653" />
+  <B value="-139.12" />
+  <C value="-3.6735" />
+  <D value="-0.0000014093" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4426E-07" />
+  <B value="0.6407" />
+  <C value="174.17" />
+  <D value="-2393.4" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096853" />
+  <B value="19.016" />
+  <C value="-1.4201" />
+  <D value="0.00020099" />
+  <E value="-0.0000029536" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="386.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-18588" />
+  <B value="0.94195" />
+  <C value="-7.31E+10" />
+  <D value="-9.6975E+11" />
+  <Tmin units="K"  value="268.74" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017149" />
+  <B value="-4.9201" />
+  <C value="-2.6201" />
+  <D value="-0.0017212" />
+  <E value="-0.0000040904" />
+  <Tmin units="K"  value="164.25" />
+  <Tmax units="K"  value="411.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29990" />
+  <B value="42.279" />
+  <C value="0.68619" />
+  <D value="-0.0010286" />
+  <E value="4.4241E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="2221.4" />
+  <C value="-30.643" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="381" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2847" />
+  <B value="-0.019089" />
+  <C value="0.000012468" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2202" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.429242E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.0071" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2713" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.03369" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0297" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.619744" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19336" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0830243" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6908" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.352" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009137" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.29204" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2028" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14195.77" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-99-0" />
+<Smiles name="SMILES"  value="C=CC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="204" />
+<CompoundID name="Name"  value="1-butene" />
+<StructureFormula name="Structure"  value="CH2CHCH2CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="419.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2408" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="87.8" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="87.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000000694" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09534" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.762E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04431" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-500000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.041E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="307400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3848000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5408E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="18.071" />
+  <B value="-0.022407" />
+  <Tmin units="K"  value="35.12" />
+  <Tmax units="K"  value="87.8" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98" />
+  <B value="0.25169" />
+  <C value="419.54" />
+  <D value="0.26645" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="41.66588" />
+  <B value="-3605.004" />
+  <C value="-2.983562" />
+  <D value="6.665773E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.5338E+07" />
+  <B value="0.68186" />
+  <C value="-0.28099" />
+  <D value="-0.25369" />
+  <E value="0.26017" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1585.7" />
+  <B value="-577.54" />
+  <C value="64.19" />
+  <D value="-1.0389" />
+  <E value="0.0053848" />
+  <Tmin units="K"  value="6" />
+  <Tmax units="K"  value="87.82" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100270" />
+  <B value="86.345" />
+  <C value="7.7333" />
+  <D value="0.00096546" />
+  <E value="0.000020281" />
+  <Tmin units="K"  value="81.29" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53529" />
+  <B value="-619.26" />
+  <C value="12.431" />
+  <D value="0.000096632" />
+  <E value="-3.9013E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15917" />
+  <B value="-163.92" />
+  <C value="-3.9976" />
+  <D value="-1573.8" />
+  <E value="2763.7" />
+  <Tmin units="K"  value="209.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.764" />
+  <B value="591.51" />
+  <C value="-0.0017307" />
+  <D value="2.5723E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="335.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0347E-07" />
+  <B value="0.54535" />
+  <C value="308.83" />
+  <D value="-232.73" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.071267" />
+  <B value="99.471" />
+  <C value="-4.2011" />
+  <D value="0.014325" />
+  <E value="-0.000041157" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="363.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092115" />
+  <B value="1.1181" />
+  <C value="717.19" />
+  <D value="13037" />
+  <Tmin units="K"  value="266.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011829" />
+  <B value="10.929" />
+  <C value="-2.9412" />
+  <D value="-0.00056522" />
+  <E value="-0.0000074409" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="419.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36492" />
+  <B value="66.383" />
+  <C value="0.51076" />
+  <D value="-0.00068154" />
+  <E value="2.6315E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.09" />
+  <B value="2368.5" />
+  <C value="-19.25" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.33753" />
+  <B value="-0.055494" />
+  <C value="0.000090567" />
+  <Tmin units="K"  value="87.8" />
+  <Tmax units="K"  value="335.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2377" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.394403E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="273.0275" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2736" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.24598" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0321" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.593789" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1921" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0896329" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.92" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.56" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001178" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98463" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2085" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13827.58" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0953" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-98-9" />
+<Smiles name="SMILES"  value="C=CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="205" />
+<CompoundID name="Name"  value="Cis-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="435.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2338" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.272" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09101" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.203" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.833E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04428" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7400000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.536E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="301200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7309400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.79077" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5339E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.618" />
+  <B value="-0.014457" />
+  <Tmin units="K"  value="53.7" />
+  <Tmax units="K"  value="134.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1591" />
+  <B value="0.27085" />
+  <C value="435.5" />
+  <D value="0.28116" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.92441" />
+  <B value="-5022.628" />
+  <C value="-9.652369" />
+  <D value="0.0000133961" />
+  <E value="2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.58" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4358E+07" />
+  <B value="0.38004" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11156" />
+  <B value="837.19" />
+  <C value="4.9352" />
+  <D value="-0.095117" />
+  <E value="0.00037586" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="134.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79532" />
+  <B value="110.96" />
+  <C value="9.7654" />
+  <D value="-0.0036798" />
+  <E value="0.000019578" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53149" />
+  <B value="-719.47" />
+  <C value="12.619" />
+  <D value="-0.000047815" />
+  <E value="4.5198E-10" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13022" />
+  <B value="-102.71" />
+  <C value="-12.899" />
+  <D value="-102.28" />
+  <E value="-123.99" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1959.98" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.96838" />
+  <B value="892.0637" />
+  <C value="1.159883" />
+  <D value="-2.883463E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0697E-08" />
+  <B value="0.91942" />
+  <C value="-12.143" />
+  <D value="1343.2" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032373" />
+  <B value="19.125" />
+  <C value="-1.716" />
+  <D value="0.00030408" />
+  <E value="-0.0000042934" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000075196" />
+  <B value="1.0578" />
+  <C value="-53.701" />
+  <D value="131760" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010924" />
+  <B value="29.613" />
+  <C value="-3.1507" />
+  <D value="0.00043968" />
+  <E value="-0.0000087176" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="435.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30672" />
+  <B value="159.5" />
+  <C value="0.18541" />
+  <D value="-0.00028485" />
+  <E value="1.0443E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="2387.1" />
+  <C value="-26.243" />
+  <Tmin units="K"  value="263.27" />
+  <Tmax units="K"  value="387.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.8527" />
+  <B value="-0.034875" />
+  <C value="0.000051621" />
+  <Tmin units="K"  value="134.26" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.556787E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.7732" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2705" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.05879" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0315" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.625953" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.20385" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0874127" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9189" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.563" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005287" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.28413" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2575" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13827.58" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0912" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-18-1" />
+<Smiles name="SMILES"  value="C/C=C\C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="206" />
+<CompoundID name="Name"  value="Trans-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="428.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2377" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="274.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.62" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.62" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="74.5" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09365" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.218" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.734E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04428" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.32E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9757500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80878" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.53E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.597" />
+  <B value="-0.011008" />
+  <Tmin units="K"  value="67.05" />
+  <Tmax units="K"  value="167.62" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1523" />
+  <B value="0.27235" />
+  <C value="428.6" />
+  <D value="0.28543" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="56.602" />
+  <B value="-4026.7" />
+  <C value="-5.5178" />
+  <D value="0.0000079176" />
+  <E value="2" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.63" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3476E+07" />
+  <B value="0.31355" />
+  <C value="0.41478" />
+  <D value="-0.75555" />
+  <E value="0.40695" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11577" />
+  <B value="924.59" />
+  <C value="-0.075824" />
+  <D value="-0.037583" />
+  <E value="0.00018647" />
+  <Tmin units="K"  value="14.56" />
+  <Tmax units="K"  value="167.62" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="98730" />
+  <B value="549.96" />
+  <C value="0.83133" />
+  <D value="0.038607" />
+  <E value="-0.000044392" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="280" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60006" />
+  <B value="-649.72" />
+  <C value="12.368" />
+  <D value="0.00014661" />
+  <E value="-5.1566E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13647" />
+  <B value="-137.68" />
+  <C value="-9.943" />
+  <D value="-263.89" />
+  <E value="304.81" />
+  <Tmin units="K"  value="214.3" />
+  <Tmax units="K"  value="1928.75" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.05639" />
+  <B value="833.2986" />
+  <C value="0.849646" />
+  <D value="-2.292227E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010493" />
+  <B value="0.48674" />
+  <C value="358.01" />
+  <D value="137.53" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060004" />
+  <B value="368.81" />
+  <C value="-7.3737" />
+  <D value="0.025078" />
+  <E value="-0.000049526" />
+  <Tmin units="K"  value="167.6" />
+  <Tmax units="K"  value="392.74" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078563" />
+  <B value="1.0565" />
+  <C value="14.753" />
+  <D value="105810" />
+  <Tmin units="K"  value="274.03" />
+  <Tmax units="K"  value="1257" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071116" />
+  <B value="84.381" />
+  <C value="-4.1149" />
+  <D value="0.0047521" />
+  <E value="-0.000016755" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="428.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="46428" />
+  <B value="-40.658" />
+  <C value="0.75936" />
+  <D value="-0.00091251" />
+  <E value="3.3965E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.171" />
+  <B value="2448.5" />
+  <C value="-20.174" />
+  <Tmin units="K"  value="258.29" />
+  <Tmax units="K"  value="383.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.7304" />
+  <B value="-0.027775" />
+  <C value="0.000037636" />
+  <Tmin units="K"  value="167.62" />
+  <Tmax units="K"  value="333.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23668" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.417894E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="271.7928" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2721" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18256" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.608684" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21525" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0893483" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9189" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.563" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.016832" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.8876" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2138" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14207.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0893483" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-64-6" />
+<Smiles name="SMILES"  value="C/C=C/C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="207" />
+<CompoundID name="Name"  value="Isobutene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="417.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2388" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="266.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.644929" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.108" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09524" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.875E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04429" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.71E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.808E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="293090" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5931200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.60897" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5242E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.138" />
+  <B value="-0.014341" />
+  <Tmin units="K"  value="53.12" />
+  <Tmax units="K"  value="132.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.01" />
+  <B value="0.25611" />
+  <C value="417.9" />
+  <D value="0.2642" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.13879" />
+  <B value="-3682.162" />
+  <C value="-3.952514" />
+  <D value="4.044185E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.916E+07" />
+  <B value="1.1638" />
+  <C value="-1.4033" />
+  <D value="0.81203" />
+  <E value="-0.13521" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34336" />
+  <B value="57.654" />
+  <C value="2.3469" />
+  <D value="-0.0024921" />
+  <E value="0.0000076414" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="130" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95317" />
+  <B value="-68.58" />
+  <C value="9.3268" />
+  <D value="0.0023434" />
+  <E value="0.0000076824" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49784" />
+  <B value="-472.84" />
+  <C value="12.012" />
+  <D value="0.00052863" />
+  <E value="-1.7772E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14292" />
+  <B value="-112.61" />
+  <C value="-10.11" />
+  <D value="-321.37" />
+  <E value="359.29" />
+  <Tmin units="K"  value="194" />
+  <Tmax units="K"  value="1880.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.717" />
+  <B value="644.93" />
+  <C value="0.3696" />
+  <D value="-0.0000023983" />
+  <E value="2" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000028839" />
+  <B value="0.33897" />
+  <C value="365.04" />
+  <D value="17752" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061493" />
+  <B value="33.335" />
+  <C value="-2.4686" />
+  <D value="0.0041425" />
+  <E value="-0.000023609" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="395.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-418.21" />
+  <B value="0.91306" />
+  <C value="-1.5105E+09" />
+  <D value="3.1789E+10" />
+  <Tmin units="K"  value="266.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0085717" />
+  <B value="38.109" />
+  <C value="-3.4301" />
+  <D value="0.0015866" />
+  <E value="-0.000012058" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="417.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26864" />
+  <B value="174.18" />
+  <C value="0.19231" />
+  <D value="-0.00032834" />
+  <E value="0.0000001302" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.012" />
+  <B value="2312" />
+  <C value="-22.509" />
+  <Tmin units="K"  value="250.95" />
+  <Tmax units="K"  value="373.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.049" />
+  <B value="-0.038545" />
+  <C value="0.000054221" />
+  <Tmin units="K"  value="132.81" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.449925E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.5672" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2727" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="82.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.044" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0318" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.592793" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19584" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0953727" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9195" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.684" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.684" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.20386" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1951" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13659.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0953727" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="115-11-7" />
+<Smiles name="SMILES"  value="C=C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1006" />
+<CompoundID name="Name"  value="2-methylpropanal" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.263" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="208.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="208.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="34.8247" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.1057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0920264" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.36218" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.176E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.158E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.214E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="331200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0845" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2913E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.457" />
+  <B value="-0.0083248" />
+  <Tmin units="K"  value="83.26" />
+  <Tmax units="K"  value="208.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97266" />
+  <B value="0.25698" />
+  <C value="507" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.1731" />
+  <B value="-7116.016" />
+  <C value="-12.16592" />
+  <D value="0.0000111612" />
+  <E value="2" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.95108E+07" />
+  <B value="0.263532" />
+  <C value="1.209662" />
+  <D value="-2.271572" />
+  <E value="1.223299" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="117460" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143330" />
+  <B value="110.87" />
+  <C value="5.2999" />
+  <D value="0.018869" />
+  <E value="-0.000016131" />
+  <Tmin units="K"  value="214.6" />
+  <Tmax units="K"  value="380.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68500" />
+  <B value="-741.45" />
+  <C value="12.977" />
+  <D value="-0.00061649" />
+  <E value="3.0243E-07" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1200.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17413" />
+  <B value="-177.39" />
+  <C value="-23.578" />
+  <D value="-1169.2" />
+  <E value="-870.73" />
+  <Tmin units="K"  value="253.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.535" />
+  <B value="970.52" />
+  <C value="-0.049339" />
+  <D value="1.1673E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9586E-07" />
+  <B value="0.71384" />
+  <C value="159.71" />
+  <D value="-212.67" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10024" />
+  <B value="-223.61" />
+  <C value="-0.25771" />
+  <D value="-0.00474" />
+  <E value="-0.000011884" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2151.4" />
+  <B value="-0.21039" />
+  <C value="974960" />
+  <D value="-5.0943E+09" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080335" />
+  <B value="138.78" />
+  <C value="-4.3351" />
+  <D value="0.0046959" />
+  <E value="-0.000012308" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="507" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1651.2" />
+  <B value="409.22" />
+  <C value="-0.26544" />
+  <D value="0.000076956" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="1200.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.001" />
+  <B value="3260.1" />
+  <C value="-26.391" />
+  <Tmin units="K"  value="309.26" />
+  <Tmax units="K"  value="444.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.27451" />
+  <B value="-0.041473" />
+  <C value="0.000050862" />
+  <Tmin units="K"  value="208.15" />
+  <Tmax units="K"  value="337.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.133037E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.2365" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.0423" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0348" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.79414" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.37009" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0920137" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.872" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.9594" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.37009" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18234.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0920137" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-84-2" />
+<Smiles name="SMILES"  value="CC(C)C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1052" />
+<CompoundID name="Name"  value="Methyl ethyl ketone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4210000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.267" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="186.48" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="186.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.3904" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.107" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09013" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.322" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.135E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.21E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.39E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.47E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8385000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0746" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.268E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.07" />
+  <B value="-0.0096025" />
+  <Tmin units="K"  value="74.59" />
+  <Tmax units="K"  value="186.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.16518" />
+  <B value="0.10716" />
+  <C value="536.8" />
+  <D value="0.15066" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.00012" />
+  <B value="-6498.964" />
+  <C value="-9.389584" />
+  <D value="8.32043E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7221E+07" />
+  <B value="0.30759" />
+  <C value="0.48591" />
+  <D value="-0.8645" />
+  <E value="0.45018" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17129" />
+  <B value="1720.2" />
+  <C value="-12.568" />
+  <D value="0.048242" />
+  <E value="-0.000060858" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="186.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137210" />
+  <B value="245.98" />
+  <C value="6.3249" />
+  <D value="0.009404" />
+  <E value="3.3143E-07" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69404" />
+  <B value="-545.04" />
+  <C value="12.139" />
+  <D value="0.00045578" />
+  <E value="-1.6351E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.072002" />
+  <B value="-61.582" />
+  <C value="-63.847" />
+  <D value="32101" />
+  <E value="-95322" />
+  <Tmin units="K"  value="277.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.60519" />
+  <B value="503.02" />
+  <C value="-1.5659" />
+  <D value="5.5782E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8817E-08" />
+  <B value="0.96765" />
+  <C value="-28.58" />
+  <D value="7703" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.17871" />
+  <B value="4.3086" />
+  <C value="-1.0343" />
+  <D value="0.00010801" />
+  <E value="-0.0000015411" />
+  <Tmin units="K"  value="184.45" />
+  <Tmax units="K"  value="422.04" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-4970700" />
+  <B value="-0.23106" />
+  <C value="2.2577E+09" />
+  <D value="-1.0834E+13" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022005" />
+  <B value="17.777" />
+  <C value="-2.7497" />
+  <D value="-0.00035582" />
+  <E value="-0.0000031774" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="52789" />
+  <B value="91.975" />
+  <C value="0.40334" />
+  <D value="-0.00053911" />
+  <E value="2.0528E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-9.711039" />
+  <B value="-13984.86" />
+  <C value="-7.272391" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.449" />
+  <B value="3070.5" />
+  <C value="-43.309" />
+  <Tmin units="K"  value="325.82" />
+  <Tmax units="K"  value="480.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.4713" />
+  <B value="-0.024147" />
+  <C value="0.000020964" />
+  <Tmin units="K"  value="186.48" />
+  <Tmax units="K"  value="535.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.281568E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="245.3396" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77001" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.036" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.80904" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3241" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0901936" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.25" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.095" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3241" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18878.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0901936" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-93-3" />
+<Smiles name="SMILES"  value="CC(=O)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1479" />
+<CompoundID name="Name"  value="Tetrahydrofuran" />
+<StructureFormula name="Structure"  value="-CH2CH2CH2CH2O-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5190000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.224" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="339.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.195542" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.107" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08171" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.225" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.694E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04348" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.43E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8418E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-7.969E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="297290" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.325E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.756" />
+  <B value="-0.011931" />
+  <Tmin units="K"  value="65.86" />
+  <Tmax units="K"  value="164.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.054" />
+  <B value="0.25754" />
+  <C value="540.2" />
+  <D value="0.26776" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.74347" />
+  <B value="-6236.553" />
+  <C value="-9.221137" />
+  <D value="0.0000078089" />
+  <E value="2" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.770629E+07" />
+  <B value="0.8303" />
+  <C value="-0.617577" />
+  <D value="-0.253996" />
+  <E value="0.501899" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21080" />
+  <B value="1625.4" />
+  <C value="-13.019" />
+  <D value="0.054426" />
+  <E value="-0.00007435" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="164.76" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83351" />
+  <B value="774.14" />
+  <C value="0.38273" />
+  <D value="0.036255" />
+  <E value="-0.00003559" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="339.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41616" />
+  <B value="-744.85" />
+  <C value="13.048" />
+  <D value="-0.00029616" />
+  <E value="7.4486E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13601" />
+  <B value="-158.27" />
+  <C value="-17.134" />
+  <D value="-685.86" />
+  <E value="573.36" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="1890.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.047" />
+  <B value="896.61" />
+  <C value="-0.11864" />
+  <D value="2.5625E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3286E-07" />
+  <B value="0.67758" />
+  <C value="342.35" />
+  <D value="-15667" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22085" />
+  <B value="9.5971" />
+  <C value="-0.99496" />
+  <D value="-0.00017415" />
+  <E value="-6.4958E-07" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="433.56" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000010439" />
+  <B value="1.4482" />
+  <C value="729.36" />
+  <D value="-9829.3" />
+  <Tmin units="K"  value="273.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.036886" />
+  <B value="4.45" />
+  <C value="-2.3412" />
+  <D value="-0.00098178" />
+  <E value="-0.0000015349" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="540.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42994" />
+  <B value="-161.83" />
+  <C value="1.3686" />
+  <D value="-0.0016978" />
+  <E value="6.6516E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.376" />
+  <B value="-3760" />
+  <C value="-22.56" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.254" />
+  <B value="2946.8" />
+  <C value="-36.192" />
+  <Tmin units="K"  value="328.14" />
+  <Tmax units="K"  value="483.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.1285" />
+  <B value="-0.041831" />
+  <C value="0.000052" />
+  <Tmin units="K"  value="164.65" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23149" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.732815E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.4877" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66911" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0332" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.889" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.22269" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0819417" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.94" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4245" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.225" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19042.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0819417" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="28"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="28"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="27"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-99-9" />
+<Smiles name="SMILES"  value="C1COCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1421" />
+<CompoundID name="Name"  value="1,4-dioxane" />
+<StructureFormula name="Structure"  value="-OCH2CH2OCH2CH2-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5170000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.238" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="284.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="284.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2532.46" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08529" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.279262" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.017E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04662" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.158E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.816E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="300120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.284E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85142" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.1863E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.349" />
+  <B value="1.6331E-16" />
+  <Tmin units="K"  value="284.15" />
+  <Tmax units="K"  value="293.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0039" />
+  <B value="0.25926" />
+  <C value="587" />
+  <D value="0.28278" />
+  <Tmin units="K"  value="273.83" />
+  <Tmax units="K"  value="587" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="50.11504" />
+  <B value="-5577.21" />
+  <C value="-4.046854" />
+  <D value="2.080567E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="587" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.1367E+08" />
+  <B value="9.1812" />
+  <C value="-22.992" />
+  <D value="23.854" />
+  <E value="-9.34" />
+  <Tmin units="K"  value="274.17" />
+  <Tmax units="K"  value="587.56" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="59198" />
+  <B value="-738.71" />
+  <C value="10.567" />
+  <D value="-0.045677" />
+  <E value="0.000073474" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="272.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151550" />
+  <B value="-65314" />
+  <C value="519.35" />
+  <D value="-1.3402" />
+  <E value="0.0011989" />
+  <Tmin units="K"  value="284.93" />
+  <Tmax units="K"  value="374.47" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46250" />
+  <B value="-613.41" />
+  <C value="12.822" />
+  <D value="0.000004782" />
+  <E value="-2.2238E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15508" />
+  <B value="-121.34" />
+  <C value="-57.373" />
+  <D value="-20817" />
+  <E value="36332" />
+  <Tmin units="K"  value="293.5" />
+  <Tmax units="K"  value="1877.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-79.28" />
+  <B value="4198.4" />
+  <C value="10.393" />
+  <D value="-0.0000085568" />
+  <E value="2" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7334E-07" />
+  <B value="0.7393" />
+  <C value="129.93" />
+  <D value="-0.0004206" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.089834" />
+  <B value="46.421" />
+  <C value="-1.1898" />
+  <D value="-0.0037338" />
+  <E value="-0.0000061358" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.3873E-07" />
+  <B value="1.8505" />
+  <C value="-94.575" />
+  <D value="7804.2" />
+  <Tmin units="K"  value="276.15" />
+  <Tmax units="K"  value="768.01" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01539" />
+  <B value="-237.84" />
+  <C value="-0.68129" />
+  <D value="-0.0050984" />
+  <E value="-3.5247E-07" />
+  <Tmin units="K"  value="274.86" />
+  <Tmax units="K"  value="587" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="31013" />
+  <B value="15.39" />
+  <C value="0.97953" />
+  <D value="-0.0012972" />
+  <E value="5.1358E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.572938" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.067" />
+  <B value="2959.2" />
+  <C value="-64.038" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="527.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.8781" />
+  <B value="-0.054192" />
+  <C value="0.000062327" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="374.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25238" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.96013E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.96" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.48017" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0363" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03891" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2779" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0856635" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.07" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.28" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.216" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280373" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20163.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0856635" />
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="26"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="25"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-91-1" />
+<Smiles name="SMILES"  value="C1OCCOC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1256" />
+<CompoundID name="Name"  value="N-butyric acid" />
+<StructureFormula name="Structure"  value="CH3CH2CH2COOH" />
+<Family name="Family"  value="50" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="624" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.227" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="436.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.3" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09246" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.72" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.61E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05365" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.758E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.6E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.159E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.34915" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.008E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.238" />
+  <B value="-0.0069956" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="267.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.702" />
+  <B value="0.22902" />
+  <C value="628.16" />
+  <D value="0.24275" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="628.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="54.31047" />
+  <B value="-7692.649" />
+  <C value="-4.148708" />
+  <D value="2.624319E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="625.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1387E+07" />
+  <B value="1.1517" />
+  <C value="-2.7656" />
+  <D value="2.6617" />
+  <E value="-0.66983" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="615.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-1354100" />
+  <B value="26070" />
+  <C value="-174.59" />
+  <D value="0.51718" />
+  <E value="-0.00056018" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135560" />
+  <B value="664.7" />
+  <C value="1.9592" />
+  <D value="0.027685" />
+  <E value="-0.000020111" />
+  <Tmin units="K"  value="267.89" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75565" />
+  <B value="-613.25" />
+  <C value="12.671" />
+  <D value="-0.000058773" />
+  <E value="-2.4845E-08" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="14.241" />
+  <B value="534.99" />
+  <C value="-4.0411" />
+  <D value="0.0000053437" />
+  <E value="2" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2745E-08" />
+  <B value="1.0055" />
+  <C value="13.097" />
+  <D value="182.58" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043955" />
+  <B value="57.698" />
+  <C value="-1.8847" />
+  <D value="0.00050649" />
+  <E value="-0.0000013441" />
+  <Tmin units="K"  value="259.29" />
+  <Tmax units="K"  value="573.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010747" />
+  <B value="1.3444" />
+  <C value="19634" />
+  <D value="-7296600" />
+  <Tmin units="K"  value="436.42" />
+  <Tmax units="K"  value="706.95" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0076127" />
+  <B value="373.93" />
+  <C value="-6.0915" />
+  <D value="0.0084349" />
+  <E value="-0.000011979" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="615.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9096.2" />
+  <B value="429.44" />
+  <C value="-0.26202" />
+  <D value="0.000057916" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.149" />
+  <B value="3703.9" />
+  <C value="-87.868" />
+  <Tmin units="K"  value="374.82" />
+  <Tmax units="K"  value="560.79" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.4201" />
+  <B value="-0.037098" />
+  <C value="0.000035218" />
+  <Tmin units="K"  value="267.95" />
+  <Tmax units="K"  value="436.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.285694" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.336263E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="195.7901" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.95962" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0924567" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5512" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.152" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20262.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0924567" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-92-6" />
+<Smiles name="SMILES"  value="CCCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1313" />
+<CompoundID name="Name"  value="Ethyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOC2H5" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="523.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3830000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.286" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="350.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.43179" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09855" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.361" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05277" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.445E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.28E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.048E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0408" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.061E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.57" />
+  <B value="-0.0085904" />
+  <Tmin units="K"  value="75.84" />
+  <Tmax units="K"  value="189.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78926" />
+  <B value="0.24295" />
+  <C value="523.26" />
+  <D value="0.25762" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="523.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.16862" />
+  <B value="-7073.291" />
+  <C value="-10.65983" />
+  <D value="8.16528E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="523.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9527E+07" />
+  <B value="0.37029" />
+  <C value="0.072685" />
+  <D value="-0.077493" />
+  <E value="0.017381" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="505.74" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45470" />
+  <B value="2386.6" />
+  <C value="-15.442" />
+  <D value="0.037388" />
+  <E value="0.000010613" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="189.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129430" />
+  <B value="961.92" />
+  <C value="-0.12694" />
+  <D value="0.034745" />
+  <E value="-0.000031346" />
+  <Tmin units="K"  value="189.3" />
+  <Tmax units="K"  value="391.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97183" />
+  <B value="-1121.4" />
+  <C value="13.827" />
+  <D value="-0.0012343" />
+  <E value="3.6158E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16068" />
+  <B value="-181.45" />
+  <C value="-31.475" />
+  <D value="-5830.1" />
+  <E value="6599.7" />
+  <Tmin units="K"  value="261.6" />
+  <Tmax units="K"  value="1831.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="16.428" />
+  <B value="-219.29" />
+  <C value="-4.124" />
+  <D value="6.0568E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000034514" />
+  <B value="0.35236" />
+  <C value="732.29" />
+  <D value="-3982.4" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.040771" />
+  <B value="-127.25" />
+  <C value="-0.26995" />
+  <D value="-0.0055753" />
+  <E value="9.9363E-07" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="350.21" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.3264E-07" />
+  <B value="1.902" />
+  <C value="102.58" />
+  <D value="-17015" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="990.21" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025331" />
+  <B value="12.715" />
+  <C value="-2.6443" />
+  <D value="-0.0005937" />
+  <E value="-0.0000027669" />
+  <Tmin units="K"  value="189.6" />
+  <Tmax units="K"  value="505.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="85040" />
+  <B value="-124.28" />
+  <C value="1.0836" />
+  <D value="-0.0013084" />
+  <E value="4.9879E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.708549" />
+  <B value="-3000" />
+  <C value="-18" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.18" />
+  <B value="2832.5" />
+  <C value="-56.935" />
+  <Tmin units="K"  value="314.55" />
+  <Tmax units="K"  value="470.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.3439" />
+  <B value="-0.018487" />
+  <C value="0.000012476" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.24E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="499" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.17686" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.904856" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35949" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0985939" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.48" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.49506" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.362" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18345.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0985939" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="23"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="26"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="23"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="22"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-78-6" />
+<Smiles name="SMILES"  value="CC(=O)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1322" />
+<CompoundID name="Name"  value="Methyl propionate" />
+<StructureFormula name="Structure"  value="CH3CH2COOCH3" />
+<Family name="Family"  value="57" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.282" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.634091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09693" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.349" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.49E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.681E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05277" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.275E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.11E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.01E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.019" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.078E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.807" />
+  <B value="-0.008787" />
+  <Tmin units="K"  value="74.26" />
+  <Tmax units="K"  value="185.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72945" />
+  <B value="0.23284" />
+  <C value="530.6" />
+  <D value="0.24422" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.55" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="91.97365" />
+  <B value="-7071.987" />
+  <C value="-10.4626" />
+  <D value="7.767427E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.6303E+07" />
+  <B value="2.9196" />
+  <C value="-6.5593" />
+  <D value="6.8235" />
+  <E value="-2.6926" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="530.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="130880" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140380" />
+  <B value="1173.7" />
+  <C value="0.81056" />
+  <D value="0.020863" />
+  <E value="-0.000005642" />
+  <Tmin units="K"  value="253.71" />
+  <Tmax units="K"  value="423.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="11365" />
+  <B value="-258.45" />
+  <C value="12.315" />
+  <D value="0.00033508" />
+  <E value="-7.4281E-08" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15762" />
+  <B value="-192.95" />
+  <C value="-33.685" />
+  <D value="-4171.3" />
+  <E value="3538.6" />
+  <Tmin units="K"  value="265.3" />
+  <Tmax units="K"  value="1591.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2868" />
+  <B value="807.93" />
+  <C value="-0.36444" />
+  <D value="-0.0000010038" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="352.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2912E-07" />
+  <B value="0.63237" />
+  <C value="126.55" />
+  <D value="15669" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.034599" />
+  <B value="27.577" />
+  <C value="-2.1207" />
+  <D value="0.00098891" />
+  <E value="-0.0000051703" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="475" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-197.62" />
+  <B value="-0.13413" />
+  <C value="101740" />
+  <D value="-8.2156E+08" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01525" />
+  <B value="32.131" />
+  <C value="-2.9556" />
+  <D value="0.00026339" />
+  <E value="-0.0000051671" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="512.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-416.05" />
+  <B value="484.46" />
+  <C value="-0.3614" />
+  <D value="0.00011182" />
+  <Tmin units="K"  value="185.65" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.091" />
+  <B value="-3100" />
+  <C value="-18.6" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.223" />
+  <B value="2894.8" />
+  <C value="-54.265" />
+  <Tmin units="K"  value="321.91" />
+  <Tmax units="K"  value="476.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.6879" />
+  <B value="-0.02954" />
+  <C value="0.000030971" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="352.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28047" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.277307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.6518" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.14006" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0383" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.919835" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0969396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4786" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.3999" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18626.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0969396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="554-12-1" />
+<Smiles name="SMILES"  value="CCC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1303" />
+<CompoundID name="Name"  value="N-propyl formate" />
+<StructureFormula name="Structure"  value="HCOOCH2CH2CH3" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="538" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.285" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.211011" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.106" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09794" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.32" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.364E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05297" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.076E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.936E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="367800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.32E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91319" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.041E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.696" />
+  <B value="-0.0089769" />
+  <Tmin units="K"  value="72.1" />
+  <Tmax units="K"  value="180.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.915" />
+  <B value="0.26134" />
+  <C value="538" />
+  <D value="0.28" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.35267" />
+  <B value="-6244.56" />
+  <C value="-7.280094" />
+  <D value="4.220422E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.414398E+07" />
+  <B value="0.597341" />
+  <C value="-0.589234" />
+  <D value="1.004533" />
+  <E value="-0.602007" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="130880" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76453" />
+  <B value="-41.853" />
+  <C value="10.797" />
+  <D value="0.0021776" />
+  <E value="0.0000016375" />
+  <Tmin units="K"  value="188.3" />
+  <Tmax units="K"  value="433.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48655" />
+  <B value="-455.54" />
+  <C value="12.53" />
+  <D value="0.000075917" />
+  <E value="-4.246E-09" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15811" />
+  <B value="-174.27" />
+  <C value="-31.648" />
+  <D value="-4516.6" />
+  <E value="3566.6" />
+  <Tmin units="K"  value="269" />
+  <Tmax units="K"  value="1883" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-51.649" />
+  <B value="2317.7" />
+  <C value="6.5556" />
+  <D value="-0.000012396" />
+  <E value="2" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="353.97" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.0899E-07" />
+  <B value="0.58607" />
+  <C value="368.57" />
+  <D value="-171.06" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.017242" />
+  <B value="-22.474" />
+  <C value="-1.4478" />
+  <D value="-0.0011278" />
+  <E value="-0.0000020716" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="661.08" />
+  <B value="0.99232" />
+  <C value="5.8449E+09" />
+  <D value="-9.0597E+10" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017831" />
+  <B value="28.209" />
+  <C value="-2.943" />
+  <D value="0.00018306" />
+  <E value="-0.0000042883" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="538" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1865.2" />
+  <B value="457.73" />
+  <C value="-0.29209" />
+  <D value="0.000073654" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.820192" />
+  <B value="-3950" />
+  <C value="-23.7" />
+  <Tmin units="K"  value="273.0389" />
+  <Tmax units="K"  value="443.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.052" />
+  <B value="2837.7" />
+  <C value="-56.289" />
+  <Tmin units="K"  value="322.95" />
+  <Tmax units="K"  value="483.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.9885" />
+  <B value="-0.052442" />
+  <C value="0.000067436" />
+  <Tmin units="K"  value="180.25" />
+  <Tmax units="K"  value="353.97" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28231" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.21203E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="271.378" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="94.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.32658" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.910145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.314" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0979424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4919" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.58645" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.314" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18339.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0979424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="23"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-74-7" />
+<Smiles name="SMILES"  value="CCCOC(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1845" />
+<CompoundID name="Name"  value="Sulfolane" />
+<StructureFormula name="Structure"  value="-(CH2)2SO2(CH2)2-" />
+<Family name="Family"  value="70" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="855" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3365" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.345074" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="560.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="300.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="300.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.704459" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.17" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0952677" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.5234" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.309E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.56E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06122" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.727E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.431E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="347500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1373000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.397E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.313" />
+  <B value="-0.0048955" />
+  <Tmin units="K"  value="120.22" />
+  <Tmax units="K"  value="300.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89997" />
+  <B value="0.26972" />
+  <C value="853" />
+  <D value="0.30746" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="853" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.0995" />
+  <B value="-12237.47" />
+  <C value="-12.64533" />
+  <D value="4.157394E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="853" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.605659E+08" />
+  <B value="3.828131" />
+  <C value="-7.67047" />
+  <D value="6.739132" />
+  <E value="-2.353929" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="853" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-785.07" />
+  <B value="-58445" />
+  <C value="597.38" />
+  <D value="-2.0114" />
+  <E value="0.0022509" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122690" />
+  <B value="-336.31" />
+  <C value="11.614" />
+  <D value="0.0017011" />
+  <E value="-5.0866E-07" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="711.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92921" />
+  <B value="-999.97" />
+  <C value="13.757" />
+  <D value="-0.00093192" />
+  <E value="0.0000002258" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21162" />
+  <B value="-345.47" />
+  <C value="-201.18" />
+  <D value="-901260" />
+  <E value="2067300" />
+  <Tmin units="K"  value="426.5" />
+  <Tmax units="K"  value="1575.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-56.251" />
+  <B value="4046.1" />
+  <C value="6.7894" />
+  <D value="-0.0000052803" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="682.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9074E-08" />
+  <B value="0.97453" />
+  <C value="81.209" />
+  <D value="-9361.1" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.079581" />
+  <B value="-84.501" />
+  <C value="-1.1134" />
+  <D value="-0.0025206" />
+  <E value="2.9748E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000077821" />
+  <B value="1.0313" />
+  <C value="528.38" />
+  <D value="54551" />
+  <Tmin units="K"  value="558.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014132" />
+  <B value="101.47" />
+  <C value="-3.0694" />
+  <D value="0.00080277" />
+  <E value="-0.0000027696" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="853" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16512" />
+  <B value="535.08" />
+  <C value="-0.32273" />
+  <D value="0.000068445" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4.6" />
+  <B value="-10000" />
+  <C value="-45" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="853" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.827" />
+  <B value="5019" />
+  <C value="-73.207" />
+  <Tmin units="K"  value="521.53" />
+  <Tmax units="K"  value="765.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0048" />
+  <B value="-0.032316" />
+  <C value="0.000023123" />
+  <Tmin units="K"  value="300.55" />
+  <Tmax units="K"  value="682.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.327425" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.990302E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="212.828" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257009" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0454" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26697" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.377998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0952677" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0357" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.2" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.2" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.377998" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26335.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0952677" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="118"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="56"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="59"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="118"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="2" />
+  <group id="110"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="126-33-0" />
+<Smiles name="SMILES"  value="S1(=O)(=O)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2856" />
+<CompoundID name="Name"  value="N,n-dimethylacetamide" />
+<StructureFormula name="Structure"  value="(CH3)2NCOCH3" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.321" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.236" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="439.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="253.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="253.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.64072" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="87.1204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0930285" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.363509" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.368E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.27088E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05704" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.25E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.85E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="351000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.04182E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.38E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.194" />
+  <B value="-0.0062154" />
+  <Tmin units="K"  value="101.26" />
+  <Tmax units="K"  value="253.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72553" />
+  <B value="0.2328" />
+  <C value="658" />
+  <D value="0.27034" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="67.333" />
+  <B value="-7592.9" />
+  <C value="-6.3978" />
+  <D value="0.0000021543" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="658" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8939E+07" />
+  <B value="0.34564" />
+  <C value="-0.28415" />
+  <D value="0.52832" />
+  <E value="-0.2171" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5764.2" />
+  <B value="751.46" />
+  <C value="-1.5181" />
+  <D value="0.004037" />
+  <E value="-0.0000047604" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="253.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="175450" />
+  <B value="252.77" />
+  <C value="11.249" />
+  <D value="-0.052983" />
+  <E value="0.00011812" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="409" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41899" />
+  <B value="-423.52" />
+  <C value="12.444" />
+  <D value="0.00039958" />
+  <E value="-1.2339E-07" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22953" />
+  <B value="-303.05" />
+  <C value="-68.186" />
+  <D value="-13212" />
+  <E value="-9988.7" />
+  <Tmin units="K"  value="329" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="16.727" />
+  <B value="-219.71" />
+  <C value="-4.0135" />
+  <D value="-0.0000013942" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4592E-07" />
+  <B value="0.64442" />
+  <C value="412.29" />
+  <D value="-8784" />
+  <Tmin units="K"  value="439.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06447" />
+  <B value="-206.75" />
+  <C value="-0.7204" />
+  <D value="0.00031649" />
+  <E value="-0.000010441" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011762" />
+  <B value="0.72055" />
+  <C value="943.06" />
+  <D value="275760" />
+  <Tmin units="K"  value="439.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0049495" />
+  <B value="166.75" />
+  <C value="-4.146" />
+  <D value="0.0038773" />
+  <E value="-0.000009444" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="636.69" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9221.9" />
+  <B value="475.24" />
+  <C value="-0.26167" />
+  <D value="0.000056823" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.469" />
+  <B value="3699.8" />
+  <C value="-66.946" />
+  <Tmin units="K"  value="402.31" />
+  <Tmax units="K"  value="572.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.5469" />
+  <B value="-0.018051" />
+  <C value="0.000010457" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="439.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304288" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.226349E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="237.4774" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258662" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94469" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.363509" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0930285" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.760053" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.276" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.363509" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22352.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0930285" />
+<CAS name="CAS number"  value="127-19-5" />
+<Smiles name="SMILES"  value="CC(=O)N(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="5" />
+<CompoundID name="Name"  value="N-butane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="425.12" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3796000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.255" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="272.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.86" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.86" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.67358" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10048" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.199" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.886E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0478" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.94E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2579E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.67E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="309910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4661000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84209" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65732E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.194" />
+  <B value="-0.0068444" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="134.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0023" />
+  <B value="0.26457" />
+  <C value="425.17" />
+  <D value="0.27138" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.5773" />
+  <B value="-4444.916" />
+  <C value="-7.395837" />
+  <D value="9.857432E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.6258E+07" />
+  <B value="0.83741" />
+  <C value="-0.83676" />
+  <D value="0.41526" />
+  <E value="-0.007606" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="425.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24310" />
+  <B value="1912.6" />
+  <C value="-19.664" />
+  <D value="0.12331" />
+  <E value="-0.00026167" />
+  <Tmin units="K"  value="22.35" />
+  <Tmax units="K"  value="130.16" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115150" />
+  <B value="-3564.7" />
+  <C value="41.067" />
+  <D value="-0.098803" />
+  <E value="0.0001183" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44749.95" />
+  <B value="-338.1412" />
+  <C value="11.81452" />
+  <D value="0.00097744" />
+  <E value="-3.359129E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14916" />
+  <B value="-144.06" />
+  <C value="-9.8812" />
+  <D value="-360.23" />
+  <E value="516.2" />
+  <Tmin units="K"  value="212.58" />
+  <Tmax units="K"  value="1913.22" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-46.56549" />
+  <B value="1439.945" />
+  <C value="6.168131" />
+  <D value="-0.000023917" />
+  <E value="2" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7078E-08" />
+  <B value="0.97147" />
+  <C value="-51.16" />
+  <D value="6431" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00024966" />
+  <B value="-43.155" />
+  <C value="-0.78129" />
+  <D value="-0.0043776" />
+  <E value="-4.136E-08" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.042635" />
+  <B value="0.45147" />
+  <C value="4234" />
+  <D value="1756600" />
+  <Tmin units="K"  value="272.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035324" />
+  <B value="4.5815" />
+  <C value="-2.4942" />
+  <D value="-0.0015096" />
+  <E value="-0.0000013297" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="409.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="46120" />
+  <B value="46.029" />
+  <C value="0.6699" />
+  <D value="-0.00087892" />
+  <E value="3.4372E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.213511" />
+  <B value="-700" />
+  <C value="-4.2" />
+  <Tmin units="K"  value="253.0389" />
+  <Tmax units="K"  value="423.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.958" />
+  <B value="2350.4" />
+  <C value="-23.412" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="380.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2039" />
+  <B value="-0.019582" />
+  <C value="0.000014014" />
+  <Tmin units="K"  value="134.86" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25439" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.594883E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.6193" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2728" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="86.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46406" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.583223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2008" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0965533" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.151" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.776" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00301" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84619" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1953" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13766.21" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1014" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-97-8" />
+<Smiles name="SMILES"  value="CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="4" />
+<CompoundID name="Name"  value="Isobutane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="407.85" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3640000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2627" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="261.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="113.54" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="113.54" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0120622" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10436" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.186" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.948E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12560" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.4E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04779" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3499E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.144E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="295500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75157" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.64812E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.956" />
+  <B value="-0.015646" />
+  <Tmin units="K"  value="45.42" />
+  <Tmax units="K"  value="113.54" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89934" />
+  <B value="0.25371" />
+  <C value="407.85" />
+  <D value="0.25125" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.84" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.58866" />
+  <B value="-4298.161" />
+  <C value="-7.798635" />
+  <D value="0.0000116" />
+  <E value="2" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="408" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.4869E+07" />
+  <B value="0.64449" />
+  <C value="-0.15424" />
+  <D value="-0.28822" />
+  <E value="0.20982" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-58597" />
+  <B value="5767.7" />
+  <C value="-111.79" />
+  <D value="0.90616" />
+  <E value="-0.0024065" />
+  <Tmin units="K"  value="77" />
+  <Tmax units="K"  value="107" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89466" />
+  <B value="-323.61" />
+  <C value="12.827" />
+  <D value="-0.010476" />
+  <E value="0.000025037" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39746.03" />
+  <B value="-371.573" />
+  <C value="12.02593" />
+  <D value="0.000755039" />
+  <E value="-2.59608E-07" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15963" />
+  <B value="-143.05" />
+  <C value="-7.3449" />
+  <D value="-502.57" />
+  <E value="799.28" />
+  <Tmin units="K"  value="204.07" />
+  <Tmax units="K"  value="1836.59" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-39.10125" />
+  <B value="1315.145" />
+  <C value="4.876982" />
+  <D value="-0.0000203993" />
+  <E value="2" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="310.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.951E-08" />
+  <B value="0.90975" />
+  <C value="-52.076" />
+  <D value="8625.4" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029586" />
+  <B value="56.323" />
+  <C value="-2.8746" />
+  <D value="0.0051627" />
+  <E value="-0.000017826" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.091178" />
+  <B value="0.18264" />
+  <C value="626.56" />
+  <D value="1124600" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007942" />
+  <B value="27.727" />
+  <C value="-3.375" />
+  <D value="0.0010263" />
+  <E value="-0.000011845" />
+  <Tmin units="K"  value="113.54" />
+  <Tmax units="K"  value="407.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27862" />
+  <B value="148.69" />
+  <C value="0.45538" />
+  <D value="-0.00067339" />
+  <E value="2.6964E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.913" />
+  <B value="2269.9" />
+  <C value="-19.458" />
+  <Tmin units="K"  value="249.82" />
+  <Tmax units="K"  value="366.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.42505" />
+  <B value="-0.057646" />
+  <C value="0.000091229" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="310.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25683" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.553216E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="265.4452" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="86.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.03973" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.561966" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1825" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.105238" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1502" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.772" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.006209" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.18616" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1825" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13766.21" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1055" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-28-5" />
+<Smiles name="SMILES"  value="CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1105" />
+<CompoundID name="Name"  value="1-butanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)3OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4423000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.275" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.88" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="184.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000320123" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09196" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.591" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.225E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.83737E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0524" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.746E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.503E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361480" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9372000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0818" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.45601E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.1" />
+  <B value="9.192E-09" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="194.01" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7931" />
+  <B value="0.24201" />
+  <C value="563.05" />
+  <D value="0.22263" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="543.08" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.3424" />
+  <B value="-9140.942" />
+  <C value="-10.0038" />
+  <D value="1.706963E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="563" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.03317E+08" />
+  <B value="2.061287" />
+  <C value="-3.612692" />
+  <D value="3.240107" />
+  <E value="-1.125287" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="563" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13649" />
+  <B value="1130.7" />
+  <C value="-3.374" />
+  <D value="-0.0057232" />
+  <E value="0.000046587" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="184.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118540" />
+  <B value="928.1" />
+  <C value="-3.4067" />
+  <D value="0.053827" />
+  <E value="-0.000053611" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63521" />
+  <B value="-568.25" />
+  <C value="12.587" />
+  <D value="0.0001566" />
+  <E value="-5.9966E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11374" />
+  <B value="-82.42" />
+  <C value="-54.273" />
+  <D value="35653" />
+  <E value="-154650" />
+  <Tmin units="K"  value="281.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-44.688" />
+  <B value="3409.1" />
+  <C value="4.8758" />
+  <D value="-0.0000057302" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014735" />
+  <B value="0.46162" />
+  <C value="554.37" />
+  <D value="6760.2" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.019408" />
+  <B value="-19.063" />
+  <C value="-1.4625" />
+  <D value="-0.0014843" />
+  <E value="-4.7683E-07" />
+  <Tmin units="K"  value="184.51" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022746" />
+  <B value="1.1142" />
+  <C value="3597.3" />
+  <D value="-411420" />
+  <Tmin units="K"  value="370.7" />
+  <Tmax units="K"  value="712.94" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.033153" />
+  <B value="70.924" />
+  <C value="-3.2742" />
+  <D value="0.0018256" />
+  <E value="-0.0000040925" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="413.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37141" />
+  <B value="136.32" />
+  <C value="0.55607" />
+  <D value="-0.00080567" />
+  <E value="3.2127E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-30.12876" />
+  <B value="-11453.99" />
+  <C value="-54.40369" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="563" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.469" />
+  <B value="2804" />
+  <C value="-108.82" />
+  <Tmin units="K"  value="338.95" />
+  <Tmax units="K"  value="503.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="12.049" />
+  <B value="-0.092422" />
+  <C value="0.00010714" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="390.81" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28409" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.110187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.9812" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2538" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.3141" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0486" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813869" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5928" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09197" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4543" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.052" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.29395" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="1.005612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.1355" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.593" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23289.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0919432" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-36-3" />
+<Smiles name="SMILES"  value="CCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1106" />
+<CompoundID name="Name"  value="2-methyl-1-propanol" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="547.78" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.273" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="381.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.46096E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.59" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.332E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05239" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.832E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.549E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6322000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2052" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.449E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.341" />
+  <B value="-0.010401" />
+  <Tmin units="K"  value="66.06" />
+  <Tmax units="K"  value="165.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.80194" />
+  <B value="0.24515" />
+  <C value="547.81" />
+  <D value="0.21175" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="547.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.0368" />
+  <B value="-12288.81" />
+  <C value="-22.23928" />
+  <D value="0.0000131856" />
+  <E value="2" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="547.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1411E+07" />
+  <B value="-0.67703" />
+  <C value="2.6884" />
+  <D value="-2.3416" />
+  <E value="0.75942" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="527.66" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10092" />
+  <B value="1083.5" />
+  <C value="-3.0549" />
+  <D value="-0.01591" />
+  <E value="0.00010676" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="171.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="114500" />
+  <B value="844.65" />
+  <C value="-3.6753" />
+  <D value="0.058766" />
+  <E value="-0.000062464" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="403.87" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20857" />
+  <B value="-275.26" />
+  <C value="12.137" />
+  <D value="0.00070478" />
+  <E value="-0.0000002462" />
+  <Tmin units="K"  value="255.37" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1509" />
+  <B value="-136.83" />
+  <C value="-28.494" />
+  <D value="728.11" />
+  <E value="-79012" />
+  <Tmin units="K"  value="301.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-107.9662" />
+  <B value="6199.736" />
+  <C value="14.5721" />
+  <D value="-0.000017552" />
+  <E value="2" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9881E-07" />
+  <B value="0.52424" />
+  <C value="295.54" />
+  <D value="17281" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.27685" />
+  <B value="36.722" />
+  <C value="-1.0689" />
+  <D value="0.00066056" />
+  <E value="-0.0000014048" />
+  <Tmin units="K"  value="165.15" />
+  <Tmax units="K"  value="488.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2189.9" />
+  <B value="0.91222" />
+  <C value="1.1244E+10" />
+  <D value="-5.1003E+11" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010474" />
+  <B value="-225.69" />
+  <C value="-0.88163" />
+  <D value="-0.0069349" />
+  <E value="0.0000033337" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="380.81" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7708" />
+  <B value="468.9" />
+  <C value="-0.2884" />
+  <D value="0.00007231" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.41508" />
+  <B value="-8850" />
+  <C value="-53.1" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.336" />
+  <B value="2645.8" />
+  <C value="-111.22" />
+  <Tmin units="K"  value="330.35" />
+  <Tmax units="K"  value="488.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.484" />
+  <B value="-0.074098" />
+  <C value="0.000068531" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="544.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.152084E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.4898" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.75293" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804234" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58828" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09235" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4535" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.048" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.58613" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.592" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23750.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0930277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-83-1" />
+<Smiles name="SMILES"  value="OCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1107" />
+<CompoundID name="Name"  value="2-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4179000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.269" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.16526E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09235" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.574" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.203E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05239" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.929E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.696E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="364690" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5971000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2365" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4408E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.976" />
+  <B value="-0.011447" />
+  <Tmin units="K"  value="63.38" />
+  <Tmax units="K"  value="158.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65041" />
+  <B value="0.21558" />
+  <C value="536.05" />
+  <D value="0.22084" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="516.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="145.55" />
+  <B value="-10811" />
+  <C value="-17.957" />
+  <D value="0.0000094132" />
+  <E value="2" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="536.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.123771E+07" />
+  <B value="1.779726" />
+  <C value="-3.389854" />
+  <D value="3.546493" />
+  <E value="-1.385264" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="516.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10538" />
+  <B value="1245.7" />
+  <C value="-7.8474" />
+  <D value="0.033221" />
+  <E value="-0.000052097" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="184.73" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68513" />
+  <B value="631.42" />
+  <C value="2.7425" />
+  <D value="0.03164" />
+  <E value="-0.000028572" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="372.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70319" />
+  <B value="-564.51" />
+  <C value="12.517" />
+  <D value="0.00018661" />
+  <E value="-6.3166E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18777" />
+  <B value="-172.62" />
+  <C value="-36.943" />
+  <D value="-5764.3" />
+  <E value="4704.5" />
+  <Tmin units="K"  value="268.1" />
+  <Tmax units="K"  value="1955" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="19.329" />
+  <B value="3026.9" />
+  <C value="-6.6532" />
+  <D value="0.000029986" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3231E-07" />
+  <B value="0.76798" />
+  <C value="139.73" />
+  <D value="-4888.6" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.031711" />
+  <B value="-158.34" />
+  <C value="-0.24491" />
+  <D value="-0.0057475" />
+  <E value="0.000002591" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="398.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000011661" />
+  <B value="1.7056" />
+  <C value="340.33" />
+  <D value="-60553" />
+  <Tmin units="K"  value="281.21" />
+  <Tmax units="K"  value="992.7" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013468" />
+  <B value="-124.81" />
+  <C value="-1.739" />
+  <D value="-0.0040653" />
+  <E value="6.6383E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="372.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="32094" />
+  <B value="237.47" />
+  <C value="0.22682" />
+  <D value="-0.00042736" />
+  <E value="1.7602E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-30.07289" />
+  <B value="-11424.69" />
+  <C value="-54.73557" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="536" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.402" />
+  <B value="2657.7" />
+  <C value="-103.45" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="476.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="18.793" />
+  <B value="-0.12678" />
+  <C value="0.00014902" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28029" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.297213E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="244.9968" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.21667" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0476" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813869" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5792" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09235" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4535" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.048" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.601957" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.600508" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.94166" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.571133" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22629.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0921178" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-92-2" />
+<Smiles name="SMILES"  value="CCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1108" />
+<CompoundID name="Name"  value="2-methyl-2-propanol" />
+<StructureFormula name="Structure"  value="C(CH3)3OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="506.21" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3973000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.275" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="355.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="298.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="298.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5884.28" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09488" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.613" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.067E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05238" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.124E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.776E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="326300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6703000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.199" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4239E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.269" />
+  <B value="-0.0042735" />
+  <Tmin units="K"  value="119.59" />
+  <Tmax units="K"  value="298.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40838" />
+  <B value="0.17034" />
+  <C value="508.88" />
+  <D value="0.1974" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="508.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="196.8976" />
+  <B value="-12439.78" />
+  <C value="-26.03107" />
+  <D value="0.0000198743" />
+  <E value="2" />
+  <Tmin units="K"  value="252.75" />
+  <Tmax units="K"  value="506.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.49928E+07" />
+  <B value="1.077392" />
+  <C value="-0.185452" />
+  <D value="-0.822732" />
+  <E value="0.535399" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="506.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6950.4" />
+  <B value="346.65" />
+  <C value="4.7374" />
+  <D value="-0.035946" />
+  <E value="0.000081348" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="286.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-158220" />
+  <B value="-166.8" />
+  <C value="13.168" />
+  <D value="0.0013959" />
+  <E value="-0.0000019876" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65560" />
+  <B value="-540.88" />
+  <C value="12.558" />
+  <D value="0.00014695" />
+  <E value="-5.2324E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18659" />
+  <B value="-157.11" />
+  <C value="-31.789" />
+  <D value="-4775.1" />
+  <E value="5156.6" />
+  <Tmin units="K"  value="253.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-933.24" />
+  <B value="39184" />
+  <C value="142.25" />
+  <D value="-0.0001583" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="451.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5934E-07" />
+  <B value="0.64853" />
+  <C value="136.6" />
+  <D value="9124.5" />
+  <Tmin units="K"  value="298.97" />
+  <Tmax units="K"  value="600" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0056947" />
+  <B value="358.71" />
+  <C value="-5.5774" />
+  <D value="0.012913" />
+  <E value="-0.000018273" />
+  <Tmin units="K"  value="298.97" />
+  <Tmax units="K"  value="404.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="4.2365E-07" />
+  <B value="1.7929" />
+  <C value="-130.93" />
+  <D value="17989" />
+  <Tmin units="K"  value="278.59" />
+  <Tmax units="K"  value="766.87" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.0025589" />
+  <B value="-1098.2" />
+  <C value="4.0953" />
+  <D value="-0.014096" />
+  <E value="-0.0000031561" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="355.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21709" />
+  <B value="299.75" />
+  <C value="0.12613" />
+  <D value="-0.00036251" />
+  <E value="1.6188E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.291" />
+  <B value="2437.7" />
+  <C value="-105.93" />
+  <Tmin units="K"  value="303.83" />
+  <Tmax units="K"  value="451.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="17.837" />
+  <B value="-0.11457" />
+  <C value="0.00012188" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="451.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2876" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.110187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.9095" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1555" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0466" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781255" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.61339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09488" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.4528" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.128" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="0.88" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.745244" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.484002" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.2932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.612" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21491.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0948614" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-65-0" />
+<Smiles name="SMILES"  value="CC(C)(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1402" />
+<CompoundID name="Name"  value="Diethyl ether" />
+<StructureFormula name="Structure"  value="CH3CH2OCH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="466.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3640000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.28" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="156.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="156.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.395447" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.123" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10475" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.177E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0515" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.521E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.221E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="342300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7190000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9084" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5035E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.584" />
+  <B value="-0.010419" />
+  <Tmin units="K"  value="62.74" />
+  <Tmax units="K"  value="156.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97479" />
+  <B value="0.27114" />
+  <C value="466.7" />
+  <D value="0.28433" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="75.39748" />
+  <B value="-5436.852" />
+  <C value="-8.193869" />
+  <D value="7.812562E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.331574E+07" />
+  <B value="0.876213" />
+  <C value="0.475413" />
+  <D value="-1.944676" />
+  <E value="1.061631" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15828" />
+  <B value="1425.3" />
+  <C value="-4.6851" />
+  <D value="-0.021451" />
+  <E value="0.00015406" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="156.92" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145290" />
+  <B value="-2.8208" />
+  <C value="5.9722" />
+  <D value="0.017041" />
+  <E value="-0.0000078238" />
+  <Tmin units="K"  value="156.92" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81727" />
+  <B value="-660.7" />
+  <C value="12.61" />
+  <D value="0.00016979" />
+  <E value="-7.4028E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15776" />
+  <B value="-130.42" />
+  <C value="-20.822" />
+  <D value="-1690" />
+  <E value="2592.4" />
+  <Tmin units="K"  value="233.35" />
+  <Tmax units="K"  value="1866.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="10.139" />
+  <B value="-61.707" />
+  <C value="-3.2168" />
+  <D value="-9.5022E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000019481" />
+  <B value="0.40997" />
+  <C value="495.46" />
+  <D value="85.073" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14221" />
+  <B value="30.008" />
+  <C value="-1.3139" />
+  <D value="0.00048013" />
+  <E value="-0.0000026572" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.0044909" />
+  <B value="0.61494" />
+  <C value="-3258.3" />
+  <D value="85.806" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="600" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0086293" />
+  <B value="70.513" />
+  <C value="-3.7435" />
+  <D value="0.002828" />
+  <E value="-0.0000115" />
+  <Tmin units="K"  value="156.85" />
+  <Tmax units="K"  value="466.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38346" />
+  <B value="311.73" />
+  <C value="-0.15548" />
+  <D value="0.00010942" />
+  <E value="-5.8035E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.371722" />
+  <B value="-2150" />
+  <C value="-12.9" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.982" />
+  <B value="2524.9" />
+  <C value="-40.677" />
+  <Tmin units="K"  value="283.9" />
+  <Tmax units="K"  value="417.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.7993" />
+  <B value="-0.020592" />
+  <C value="0.000017313" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2838" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.49E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="362" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.00625" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0376" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.713" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28099" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104692" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.39" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.02" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.024" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.284607" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15530.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104692" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="60-29-7" />
+<Smiles name="SMILES"  value="CCOCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1202" />
+<CompoundID name="Name"  value="Diethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="744.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.232" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="262.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="262.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00319709" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.12" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0952681" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.622105" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.739E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0607" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.92E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.464E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.84E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.3481E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="3.1418" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.155E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.607" />
+  <B value="-0.0056939" />
+  <Tmin units="K"  value="105.08" />
+  <Tmax units="K"  value="262.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81894" />
+  <B value="0.25823" />
+  <C value="744.6" />
+  <D value="0.23979" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="719.24" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="46.26595" />
+  <B value="-10205.15" />
+  <C value="-2.102723" />
+  <D value="-7.036466E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="744.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0853E+08" />
+  <B value="-0.00876655" />
+  <C value="1.770951" />
+  <D value="-1.359893" />
+  <E value="-0.0210292" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="744.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5791.1" />
+  <B value="739.7" />
+  <C value="-1.4583" />
+  <D value="0.003773" />
+  <E value="-0.0000043193" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="262.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188290" />
+  <B value="227.63" />
+  <C value="5.7157" />
+  <D value="0.020545" />
+  <E value="-0.000018798" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82107" />
+  <B value="-687.16" />
+  <C value="13.353" />
+  <D value="-0.00070647" />
+  <E value="2.4155E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.0058126" />
+  <B value="205.06" />
+  <C value="-277.68" />
+  <D value="1325800" />
+  <E value="-7165900" />
+  <Tmin units="K"  value="372.3" />
+  <Tmax units="K"  value="1564" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-374.29" />
+  <B value="18192" />
+  <C value="55.132" />
+  <D value="-0.000049166" />
+  <E value="2" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="595.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4523E-08" />
+  <B value="0.8468" />
+  <C value="24.322" />
+  <D value="7352.9" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11579" />
+  <B value="8.2246" />
+  <C value="-1.6466" />
+  <D value="0.002673" />
+  <E value="-0.0000035412" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="517.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="500.16" />
+  <B value="1.0276" />
+  <C value="7.9617E+09" />
+  <D value="-7.5258E+11" />
+  <Tmin units="K"  value="456.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.030468" />
+  <B value="-174.37" />
+  <C value="-1.1319" />
+  <D value="-0.0029512" />
+  <E value="4.9272E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="518.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8099.9" />
+  <B value="599.05" />
+  <C value="-0.41929" />
+  <D value="0.00011046" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-10.44195" />
+  <B value="-9962.105" />
+  <C value="-59.06982" />
+  <Tmin units="K"  value="278" />
+  <Tmax units="K"  value="744" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.901" />
+  <B value="3422.4" />
+  <C value="-153.31" />
+  <Tmin units="K"  value="447.33" />
+  <Tmax units="K"  value="668.51" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="9.862" />
+  <B value="-0.057143" />
+  <C value="0.000042368" />
+  <Tmin units="K"  value="262.7" />
+  <Tmax units="K"  value="595.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3889" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.306526E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="252.6928" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.03" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-8.3213" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0583" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.12142" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.2005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0952681" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.9415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.8" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="13.224" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.621104" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27775.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0952681" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="21"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-46-6" />
+<Smiles name="SMILES"  value="OCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1710" />
+<CompoundID name="Name"  value="Diethylamine" />
+<StructureFormula name="Structure"  value="C2H5NHC2H5" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="496.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3710000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.301" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="328.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="374.108" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="73.138" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10424" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.303856" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.172E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05588" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.142E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.308E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.14E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8003E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.411" />
+  <B value="-0.0066259" />
+  <Tmin units="K"  value="89.34" />
+  <Tmax units="K"  value="223.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73036" />
+  <B value="0.23814" />
+  <C value="496.66" />
+  <D value="0.24991" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="496.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="64.68388" />
+  <B value="-5484.939" />
+  <C value="-6.37255" />
+  <D value="4.185124E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="496.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.911798E+07" />
+  <B value="0.292165" />
+  <C value="-0.28266" />
+  <D value="0.355094" />
+  <E value="0.0257197" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="482.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4978.9" />
+  <B value="695.29" />
+  <C value="-1.524" />
+  <D value="0.0044408" />
+  <E value="-0.0000057807" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="223.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107090" />
+  <B value="694.46" />
+  <C value="2.8508" />
+  <D value="0.027204" />
+  <E value="-0.000024864" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="368.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85298" />
+  <B value="-793.64" />
+  <C value="13.085" />
+  <D value="-0.00026826" />
+  <E value="6.6572E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16812" />
+  <B value="-207.88" />
+  <C value="-22.248" />
+  <D value="-1109.7" />
+  <E value="896.13" />
+  <Tmin units="K"  value="248.3" />
+  <Tmax units="K"  value="1986.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-21.138" />
+  <B value="1492" />
+  <C value="1.4401" />
+  <D value="-0.0000012994" />
+  <E value="2" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="329.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.3797E-07" />
+  <B value="0.60244" />
+  <C value="253.34" />
+  <D value="-614.36" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.066644" />
+  <B value="-97.786" />
+  <C value="-0.73312" />
+  <D value="-0.0054502" />
+  <E value="-7.5663E-08" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016939" />
+  <B value="1.2488" />
+  <C value="-114.17" />
+  <D value="77881" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.045239" />
+  <B value="-2.3813" />
+  <C value="-2.2833" />
+  <D value="-0.0012617" />
+  <E value="-7.5666E-07" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="482.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25176" />
+  <B value="269.16" />
+  <C value="0.23513" />
+  <D value="-0.00045738" />
+  <E value="1.9123E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-0.95" />
+  <B value="-1000" />
+  <C value="-75" />
+  <Tmin units="K"  value="243" />
+  <Tmax units="K"  value="496" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.038" />
+  <B value="2654.5" />
+  <C value="-49.762" />
+  <Tmin units="K"  value="297.97" />
+  <Tmax units="K"  value="443.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0998" />
+  <B value="-0.048496" />
+  <C value="0.000059737" />
+  <Tmin units="K"  value="223.35" />
+  <Tmax units="K"  value="329.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29183" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.018163E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.9575" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.27" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="93.55" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0392" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.707" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3045" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104234" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.68" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.17" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.303733" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16543.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104234" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-89-7" />
+<Smiles name="SMILES"  value="CCNCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1889" />
+<CompoundID name="Name"  value="Furfural" />
+<StructureFormula name="Structure"  value="(OC4H3)CHO" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.54565" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="96.0841" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0832248" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.367784" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.35E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04812" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.25E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.51E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.028E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4331" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2564E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.038" />
+  <B value="-0.0073899" />
+  <Tmin units="K"  value="94.66" />
+  <Tmax units="K"  value="236.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0614" />
+  <B value="0.26706" />
+  <C value="670.15" />
+  <D value="0.30028" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="25.656" />
+  <B value="-5514" />
+  <C value="-0.19573" />
+  <D value="-0.0000013402" />
+  <E value="2" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="670.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3009E+07" />
+  <B value="0.4784" />
+  <C value="0.066802" />
+  <D value="-0.59102" />
+  <E value="0.42453" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6836.7" />
+  <B value="503.49" />
+  <C value="-0.0034192" />
+  <D value="-0.0033694" />
+  <E value="0.0000088513" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="236.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122630" />
+  <B value="404.51" />
+  <C value="3.0587" />
+  <D value="0.029945" />
+  <E value="-0.000031496" />
+  <Tmin units="K"  value="246.56" />
+  <Tmax units="K"  value="471.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45855" />
+  <B value="-497.61" />
+  <C value="12.549" />
+  <D value="-0.000033724" />
+  <E value="-2.8785E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15692" />
+  <B value="-204.6" />
+  <C value="-63.981" />
+  <D value="-111350" />
+  <E value="220560" />
+  <Tmin units="K"  value="335.07" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="2.6487" />
+  <B value="910.16" />
+  <C value="-2.1754" />
+  <D value="0.0000028413" />
+  <E value="2" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="536.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1928E-08" />
+  <B value="0.91224" />
+  <C value="70.285" />
+  <D value="-5476.4" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.13228" />
+  <B value="19058" />
+  <C value="-182.25" />
+  <D value="0.56426" />
+  <E value="-0.00059782" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="466.63" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022183" />
+  <B value="0.91119" />
+  <C value="617.18" />
+  <D value="55137" />
+  <Tmin units="K"  value="434.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.023307" />
+  <B value="51.068" />
+  <C value="-2.7476" />
+  <D value="0.00047578" />
+  <E value="-0.000003172" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="647.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4779.126" />
+  <B value="385.556" />
+  <C value="-0.233346" />
+  <D value="0.0000499707" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="4" />
+  <B value="-10000" />
+  <C value="-50" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="670" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.467" />
+  <B value="4392.1" />
+  <C value="-32.683" />
+  <Tmin units="K"  value="405.3" />
+  <Tmax units="K"  value="601.7" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.70056" />
+  <B value="-0.032345" />
+  <C value="0.000028487" />
+  <Tmin units="K"  value="236.65" />
+  <Tmax units="K"  value="536.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.255652" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.046311E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.1523" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258287" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.96" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.25422" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0384" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.15394" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08323" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.168" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.484" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.484" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.5842" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23643.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0831649" />
+<UnifacVLE name="UNIFAC" >
+  <group id="62"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="22"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="48"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="62"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="62"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="61"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-01-1" />
+<Smiles name="SMILES"  value="O1C=CC=C1(C=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1791" />
+<CompoundID name="Name"  value="Pyridine" />
+<StructureFormula name="Structure"  value="-CHCHCHCHCHN-" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="620" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.53" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="20.5354" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="79.101" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.242" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.938E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21570" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.31E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0455" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.4037E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9049E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="282780" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8280000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87684" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.6721E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.748" />
+  <B value="-0.0080994" />
+  <Tmin units="K"  value="92.6" />
+  <Tmax units="K"  value="231.51" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67102" />
+  <B value="0.2057" />
+  <C value="620" />
+  <D value="0.26001" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.05373" />
+  <B value="-7269.578" />
+  <C value="-8.810082" />
+  <D value="4.816564E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.4421E+07" />
+  <B value="2.7457" />
+  <C value="-5.3078" />
+  <D value="4.8654" />
+  <E value="-1.7952" />
+  <Tmin units="K"  value="231.48" />
+  <Tmax units="K"  value="619.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11015" />
+  <B value="1416.6" />
+  <C value="-12.963" />
+  <D value="0.059131" />
+  <E value="-0.000091912" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="231.51" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101830" />
+  <B value="209.77" />
+  <C value="5.3544" />
+  <D value="0.019802" />
+  <E value="-0.000018129" />
+  <Tmin units="K"  value="231.49" />
+  <Tmax units="K"  value="388.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36223" />
+  <B value="-620.9" />
+  <C value="12.812" />
+  <D value="-0.00029215" />
+  <E value="7.7524E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12072" />
+  <B value="-161.9" />
+  <C value="-37.161" />
+  <D value="-139.47" />
+  <E value="-4487.4" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1860" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-82.798" />
+  <B value="4102.8" />
+  <C value="11.028" />
+  <D value="-0.0000093419" />
+  <E value="2" />
+  <Tmin units="K"  value="231.53" />
+  <Tmax units="K"  value="495.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.339E-08" />
+  <B value="0.90066" />
+  <C value="85.55" />
+  <D value="-5060.2" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.018788" />
+  <B value="-54.761" />
+  <C value="-1.2916" />
+  <D value="-0.00062226" />
+  <E value="-0.0000029942" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="563.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-7052.4" />
+  <B value="0.17223" />
+  <C value="-5.768E+07" />
+  <D value="-1.624E+11" />
+  <Tmin units="K"  value="366.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011563" />
+  <B value="125.96" />
+  <C value="-3.6937" />
+  <D value="0.0030162" />
+  <E value="-0.0000074304" />
+  <Tmin units="K"  value="231.51" />
+  <Tmax units="K"  value="619.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-29142" />
+  <B value="410.64" />
+  <C value="-0.14517" />
+  <D value="-0.00013262" />
+  <E value="9.121E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.907" />
+  <B value="-6630" />
+  <C value="-39.78" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.746" />
+  <B value="2867.3" />
+  <C value="-77.074" />
+  <Tmin units="K"  value="372.6" />
+  <Tmax units="K"  value="555.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.2319" />
+  <B value="-0.040488" />
+  <C value="0.000043237" />
+  <Tmin units="K"  value="231.53" />
+  <Tmax units="K"  value="495.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.241529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.763807E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="348.9357" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269325" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="77.29" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.32187" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0357" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.98877" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.238898" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0808341" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.16" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84706" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.238898" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21804.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0808341" />
+<UnifacVLE name="UNIFAC" >
+  <group id="38"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="50"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="47"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="38"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="38"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="196"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-86-1" />
+<Smiles name="SMILES"  value="n1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="309" />
+<CompoundID name="Name"  value="Isoprene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CHCH2" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="484" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3850030" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.205" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="127.27" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="127.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00247682" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="68.117" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.100775" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.158323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.213E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.3391E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05103" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7.57304E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.45896E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315641" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4924570" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.58571" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.98424E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.48" />
+  <B value="-0.013452" />
+  <Tmin units="K"  value="50.91" />
+  <Tmax units="K"  value="127.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.95762" />
+  <B value="0.265" />
+  <C value="484" />
+  <D value="0.28587" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.64382" />
+  <B value="-4808.579" />
+  <C value="-5.723014" />
+  <D value="3.325462E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="484" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7482E+07" />
+  <B value="1.7472" />
+  <C value="-3.7153" />
+  <D value="4.0508" />
+  <E value="-1.6134" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16398" />
+  <B value="1662.9" />
+  <C value="-14.306" />
+  <D value="0.058927" />
+  <E value="-0.000016497" />
+  <Tmin units="K"  value="20.39" />
+  <Tmax units="K"  value="115.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111430" />
+  <B value="579.88" />
+  <C value="0.11179" />
+  <D value="0.042713" />
+  <E value="-0.000046991" />
+  <Tmin units="K"  value="130.32" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46067" />
+  <B value="-400.72" />
+  <C value="12.189" />
+  <D value="0.00043981" />
+  <E value="-1.4681E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16606" />
+  <B value="-184.38" />
+  <C value="-17.394" />
+  <D value="5931.3" />
+  <E value="-15000" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.3004" />
+  <B value="457.06" />
+  <C value="-0.22583" />
+  <D value="-0.0000048674" />
+  <E value="2" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.2484E-07" />
+  <B value="0.58768" />
+  <C value="291.05" />
+  <D value="-6176.5" />
+  <Tmin units="K"  value="307.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0093138" />
+  <B value="-47.475" />
+  <C value="-0.82654" />
+  <D value="-0.0037828" />
+  <E value="8.2245E-07" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0010775" />
+  <B value="0.73105" />
+  <C value="657.17" />
+  <D value="112780" />
+  <Tmin units="K"  value="307.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011474" />
+  <B value="19.002" />
+  <C value="-3.0114" />
+  <D value="-0.00040883" />
+  <E value="-0.000005756" />
+  <Tmin units="K"  value="127.27" />
+  <Tmax units="K"  value="465.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5017.2" />
+  <B value="394.61" />
+  <C value="-0.22753" />
+  <D value="0.000050803" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.515" />
+  <B value="2346.3" />
+  <C value="-46.175" />
+  <Tmin units="K"  value="293.36" />
+  <Tmax units="K"  value="427.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.485" />
+  <B value="-0.018048" />
+  <C value="0.000015516" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="307.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2691" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.006525E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.5367" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.99129" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0361" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.684846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.17" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.100775" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.36" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.01" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.023298" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.31457" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.1642" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15333.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.100775" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-79-5" />
+<Smiles name="SMILES"  value="C=C(C)C=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="104" />
+<CompoundID name="Name"  value="Cyclopentane" />
+<StructureFormula name="Structure"  value="-(CH2)5-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="511.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4508000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="322.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="179.311" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.07217" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09473" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.194" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.85E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04969" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.703E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.885E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="292900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="608800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77594" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0709E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.24" />
+  <B value="-0.010626" />
+  <Tmin units="K"  value="71.71" />
+  <Tmax units="K"  value="179.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.92461" />
+  <B value="0.26305" />
+  <C value="511.77" />
+  <D value="0.22002" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="511.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-74.77148" />
+  <B value="-401.0576" />
+  <C value="15.6271" />
+  <D value="-0.0000260872" />
+  <E value="2" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="511.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.513618E+07" />
+  <B value="1.248318" />
+  <C value="-2.311302" />
+  <D value="2.401073" />
+  <E value="-0.943348" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="494.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-39074" />
+  <B value="2770.3" />
+  <C value="-35.305" />
+  <D value="0.22637" />
+  <E value="-0.000515" />
+  <Tmin units="K"  value="26.16" />
+  <Tmax units="K"  value="163.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84725" />
+  <B value="368.5" />
+  <C value="3.0559" />
+  <D value="0.030633" />
+  <E value="-0.000031124" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="322.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39785" />
+  <B value="-704.2" />
+  <C value="13.082" />
+  <D value="-0.00014913" />
+  <E value="2.4491E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14457" />
+  <B value="-136.77" />
+  <C value="-19.525" />
+  <D value="1064.5" />
+  <E value="-3861.2" />
+  <Tmin units="K"  value="255.8" />
+  <Tmax units="K"  value="1790.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.1843" />
+  <B value="670.87" />
+  <C value="-0.84082" />
+  <D value="-7.0656E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="325" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1433E-07" />
+  <B value="0.68815" />
+  <C value="135.42" />
+  <D value="-1597.6" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10961" />
+  <B value="-598.59" />
+  <C value="3.5098" />
+  <D value="-0.016258" />
+  <E value="-0.0000091635" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="322.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000098408" />
+  <B value="1.4611" />
+  <C value="639.53" />
+  <D value="7396.1" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069318" />
+  <B value="73.276" />
+  <C value="-3.5449" />
+  <D value="0.0024935" />
+  <E value="-0.000011185" />
+  <Tmin units="K"  value="179.28" />
+  <Tmax units="K"  value="494.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="41730" />
+  <B value="-164.08" />
+  <C value="1.4897" />
+  <D value="-0.0018039" />
+  <E value="6.8303E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.116" />
+  <B value="2809.4" />
+  <C value="-29.479" />
+  <Tmin units="K"  value="310.22" />
+  <Tmax units="K"  value="459.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.2213" />
+  <B value="-0.033291" />
+  <C value="0.000037759" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="325" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.26001" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.582283E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.4265" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2687" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.036" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.748874" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.19686" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0935089" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.47" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003383" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2051" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16589.01" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0947" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="5" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="287-92-3" />
+<Smiles name="SMILES"  value="C1CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="212" />
+<CompoundID name="Name"  value="2-methyl-1-butene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="465" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3447000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="304.305" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="135.578" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="135.578" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0205382" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.1329" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10872" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.234056" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.287E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05452" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.53E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.668E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7910700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.83569" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1159E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.346" />
+  <B value="-0.01138" />
+  <Tmin units="K"  value="54.23" />
+  <Tmax units="K"  value="135.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.91622" />
+  <B value="0.26752" />
+  <C value="465" />
+  <D value="0.28165" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.29304" />
+  <B value="-5304.146" />
+  <C value="-8.607604" />
+  <D value="9.513458E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6374E+07" />
+  <B value="1.4214" />
+  <C value="-2.5789" />
+  <D value="2.5516" />
+  <E value="-0.95454" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17830" />
+  <B value="1684.7" />
+  <C value="-14.234" />
+  <D value="0.073506" />
+  <E value="-0.00014133" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="135.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121560" />
+  <B value="527.31" />
+  <C value="1.2291" />
+  <D value="0.036295" />
+  <E value="-0.000037525" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81218" />
+  <B value="-803.24" />
+  <C value="13.077" />
+  <D value="-0.00034159" />
+  <E value="9.7536E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16678" />
+  <B value="-164.7" />
+  <C value="-17.388" />
+  <D value="-73.693" />
+  <E value="-374.88" />
+  <Tmin units="K"  value="232.5" />
+  <Tmax units="K"  value="1860" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.065" />
+  <B value="690.04" />
+  <C value="-0.13044" />
+  <D value="0.0000004745" />
+  <E value="2" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0873E-07" />
+  <B value="0.55006" />
+  <C value="197.77" />
+  <D value="-68.455" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.024046" />
+  <B value="2.4654" />
+  <C value="-1.5931" />
+  <D value="-0.00074325" />
+  <E value="-0.0000024745" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018088" />
+  <B value="0.94101" />
+  <C value="77.857" />
+  <D value="153680" />
+  <Tmin units="K"  value="304.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087828" />
+  <B value="42.635" />
+  <C value="-3.4174" />
+  <D value="0.001427" />
+  <E value="-0.0000096911" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="465" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-289.0224" />
+  <B value="434.7176" />
+  <C value="-0.232806" />
+  <D value="0.0000469361" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.951" />
+  <B value="2552.6" />
+  <C value="-33.481" />
+  <Tmin units="K"  value="280.07" />
+  <Tmax units="K"  value="412.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.24348" />
+  <B value="-0.050824" />
+  <C value="0.000078622" />
+  <Tmin units="K"  value="135.58" />
+  <Tmax units="K"  value="304.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2887" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.233585E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="237.8319" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.270022" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.06763" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0387" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.65438" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23544" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10868" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5939" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.224" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00351" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.08406" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.228663" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14695.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10868" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-46-2" />
+<Smiles name="SMILES"  value="C=C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="213" />
+<CompoundID name="Name"  value="3-methyl-1-butene" />
+<StructureFormula name="Structure"  value="CH2CHCH(CH3)CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="452.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3049" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="293.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="104.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="104.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000144678" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11277" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.211" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.272E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05453" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.76E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.605E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5359700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82876" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1253E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.464" />
+  <B value="-0.015739" />
+  <Tmin units="K"  value="41.86" />
+  <Tmax units="K"  value="104.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85968" />
+  <B value="0.26229" />
+  <C value="452.7" />
+  <D value="0.27579" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.66163" />
+  <B value="-4956.256" />
+  <C value="-8.290047" />
+  <D value="0.0000100425" />
+  <E value="2" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="452.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.9174E+07" />
+  <B value="0.58094" />
+  <C value="0.12579" />
+  <D value="-0.78785" />
+  <E value="0.49354" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31134" />
+  <B value="2580.1" />
+  <C value="-35.586" />
+  <D value="0.27843" />
+  <E value="-0.00080931" />
+  <Tmin units="K"  value="29.5" />
+  <Tmax units="K"  value="104.71" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94996" />
+  <B value="92.422" />
+  <C value="8.4061" />
+  <D value="0.009093" />
+  <E value="-0.0000045826" />
+  <Tmin units="K"  value="103.08" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82557" />
+  <B value="-671.08" />
+  <C value="12.784" />
+  <D value="-0.00012458" />
+  <E value="4.234E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17117" />
+  <B value="-168.7" />
+  <C value="-14.362" />
+  <D value="-474.16" />
+  <E value="518.37" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="1841" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.214" />
+  <B value="821.55" />
+  <C value="-0.010133" />
+  <D value="9.4673E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="362.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000016555" />
+  <B value="0.42535" />
+  <C value="455.3" />
+  <D value="876.91" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.017622" />
+  <B value="5.9209" />
+  <C value="-1.694" />
+  <D value="-0.00045405" />
+  <E value="-0.0000033564" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="293.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014816" />
+  <B value="0.97375" />
+  <C value="75.281" />
+  <D value="116540" />
+  <Tmin units="K"  value="293.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01585" />
+  <B value="5.8469" />
+  <C value="-2.8491" />
+  <D value="-0.0010934" />
+  <E value="-0.0000040903" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="434.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="17527" />
+  <B value="348.48" />
+  <C value="-0.034588" />
+  <D value="-0.00016105" />
+  <E value="7.932E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.734" />
+  <B value="2400.8" />
+  <C value="-32.491" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="397.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.3377" />
+  <B value="-0.058937" />
+  <C value="0.000086079" />
+  <Tmin units="K"  value="104.66" />
+  <Tmax units="K"  value="362.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29398" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.593622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="334.6082" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272045" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0389" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.63127" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2266" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.111819" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5945" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.1" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.011281" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14010.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.111819" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-45-1" />
+<Smiles name="SMILES"  value="C=CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="214" />
+<CompoundID name="Name"  value="2-methyl-2-butene" />
+<StructureFormula name="Structure"  value="CH3CHC(CH3)CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="470" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.292" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="311.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.01937" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10757" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.339" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.281E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05449" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.05E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.18E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.045E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7597700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91429" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1088E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.146" />
+  <B value="-0.010308" />
+  <Tmin units="K"  value="55.76" />
+  <Tmax units="K"  value="139.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.93623" />
+  <B value="0.2731" />
+  <C value="470" />
+  <D value="0.25849" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.2327" />
+  <B value="-5590.502" />
+  <C value="-9.366663" />
+  <D value="0.0000104545" />
+  <E value="2" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3456E+07" />
+  <B value="0.64226" />
+  <C value="-0.070051" />
+  <D value="-0.5395" />
+  <E value="0.35656" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16158" />
+  <B value="1388.9" />
+  <C value="-5.5663" />
+  <D value="0.0010355" />
+  <E value="0.000064486" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="139.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127040" />
+  <B value="1071.7" />
+  <C value="-7.883" />
+  <D value="0.075072" />
+  <E value="-0.000089164" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75343" />
+  <B value="-774.17" />
+  <C value="12.975" />
+  <D value="-0.00022009" />
+  <E value="6.0763E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15944" />
+  <B value="-148.27" />
+  <C value="-25.542" />
+  <D value="2329.9" />
+  <E value="-6400.9" />
+  <Tmin units="K"  value="235" />
+  <Tmax units="K"  value="1880" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.234" />
+  <B value="703.42" />
+  <C value="0.094871" />
+  <D value="-0.0000017625" />
+  <E value="2" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6256E-07" />
+  <B value="0.47637" />
+  <C value="263.56" />
+  <D value="-2475.7" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050847" />
+  <B value="3.0532" />
+  <C value="-1.4724" />
+  <D value="-0.00063704" />
+  <E value="-0.0000020121" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00020806" />
+  <B value="0.92265" />
+  <C value="107.34" />
+  <D value="175680" />
+  <Tmin units="K"  value="311.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01137" />
+  <B value="35.757" />
+  <C value="-3.2605" />
+  <D value="0.00094463" />
+  <E value="-0.0000079469" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="470" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10310" />
+  <B value="326.78" />
+  <C value="0.022449" />
+  <D value="-0.00020786" />
+  <E value="9.3122E-08" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.057" />
+  <B value="2659.5" />
+  <C value="-32.673" />
+  <Tmin units="K"  value="282.62" />
+  <Tmax units="K"  value="417.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.6872" />
+  <B value="-0.046426" />
+  <C value="0.000068039" />
+  <Tmin units="K"  value="139.39" />
+  <Tmax units="K"  value="311.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2883" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.513596E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.3953" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260813" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.00916" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.666109" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28518" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106707" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5919" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.22" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004255" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.46734" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.27667" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15247.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106707" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="7"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="8"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="513-35-9" />
+<Smiles name="SMILES"  value="CC(C)=CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="209" />
+<CompoundID name="Name"  value="1-pentene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)2CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="464.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2984" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="303.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="108.016" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="108.016" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000037" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1104" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.231E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05454" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.76E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.162E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.837E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="346200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5937400" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85507" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.13037E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.614" />
+  <B value="-0.014969" />
+  <Tmin units="K"  value="43.21" />
+  <Tmax units="K"  value="108.02" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44335" />
+  <B value="0.18566" />
+  <C value="473.43" />
+  <D value="0.23587" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="473.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="39.52954" />
+  <B value="-3893.399" />
+  <C value="-2.686504" />
+  <D value="1.952359E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="465.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.077277E+07" />
+  <B value="-0.570706" />
+  <C value="2.243398" />
+  <D value="-2.258065" />
+  <E value="0.928488" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="464.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9888.9" />
+  <B value="900.04" />
+  <C value="11.178" />
+  <D value="-0.22603" />
+  <E value="0.0010726" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="108.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92753" />
+  <B value="117.21" />
+  <C value="8.6537" />
+  <D value="0.007447" />
+  <E value="-0.0000026759" />
+  <Tmin units="K"  value="107.9" />
+  <Tmax units="K"  value="372" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66520" />
+  <B value="-609.44" />
+  <C value="12.683" />
+  <D value="0.000062395" />
+  <E value="-2.5354E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20469" />
+  <B value="-223.9" />
+  <C value="-8.6984" />
+  <D value="-4100.9" />
+  <E value="7778.7" />
+  <Tmin units="K"  value="228" />
+  <Tmax units="K"  value="1858.96" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.79591" />
+  <B value="682.8004" />
+  <C value="0.00564316" />
+  <D value="-9.176806E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="303.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000017549" />
+  <B value="0.42295" />
+  <C value="561.21" />
+  <D value="-17046" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.010825" />
+  <B value="-30.065" />
+  <C value="-1.1172" />
+  <D value="-0.0023327" />
+  <E value="-0.0000015541" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000026412" />
+  <B value="1.549" />
+  <C value="-2.5891" />
+  <D value="24389" />
+  <Tmin units="K"  value="303.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011552" />
+  <B value="7.0878" />
+  <C value="-2.8382" />
+  <D value="-0.0011232" />
+  <E value="-0.0000052785" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="464.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42229" />
+  <B value="99.1" />
+  <C value="0.65169" />
+  <D value="-0.00091143" />
+  <E value="3.6426E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.56045" />
+  <B value="-1050" />
+  <C value="-6.3" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.064" />
+  <B value="2629.6" />
+  <C value="-27.471" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="413.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.34306" />
+  <B value="-0.057696" />
+  <C value="0.000095563" />
+  <Tmin units="K"  value="108.02" />
+  <Tmax units="K"  value="303.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2951" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.870098E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.9223" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2944" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.01383" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0391" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.638723" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2824" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.110474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5953" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00367" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.37379" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2198" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1104" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-67-1" />
+<Smiles name="SMILES"  value="C=CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="210" />
+<CompoundID name="Name"  value="Cis-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="475" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3021" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="310.07" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="121.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="121.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000554" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.33E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.008E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05451" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.63E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.37E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="346300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7112000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84852" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.123E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.871" />
+  <B value="-0.013598" />
+  <Tmin units="K"  value="48.7" />
+  <Tmax units="K"  value="121.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90921" />
+  <B value="0.26313" />
+  <C value="475" />
+  <D value="0.30422" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.54937" />
+  <B value="-5782.462" />
+  <C value="-10.18969" />
+  <D value="0.00001126" />
+  <E value="2" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.808893E+07" />
+  <B value="0.541071" />
+  <C value="-0.876512" />
+  <D value="1.300916" />
+  <E value="-0.612383" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13230" />
+  <B value="1127" />
+  <C value="1.3684" />
+  <D value="-0.072985" />
+  <E value="0.00034019" />
+  <Tmin units="K"  value="13.51" />
+  <Tmax units="K"  value="121.78" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="132080" />
+  <B value="-10569" />
+  <C value="112.64" />
+  <D value="-0.34846" />
+  <E value="0.00041161" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68358" />
+  <B value="-741.07" />
+  <C value="12.923" />
+  <D value="-0.00013529" />
+  <E value="3.1324E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17521" />
+  <B value="-182.66" />
+  <C value="-16.753" />
+  <D value="-994" />
+  <E value="1468.3" />
+  <Tmin units="K"  value="238" />
+  <Tmax units="K"  value="1904" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.01" />
+  <B value="644.41" />
+  <C value="-0.11124" />
+  <D value="1.3682E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0321E-08" />
+  <B value="0.83123" />
+  <C value="33.115" />
+  <D value="-394.35" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.06994" />
+  <B value="-6.3331" />
+  <C value="-1.1883" />
+  <D value="-0.0013351" />
+  <E value="-7.8623E-07" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017973" />
+  <B value="0.95148" />
+  <C value="124.65" />
+  <D value="170420" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010506" />
+  <B value="20.208" />
+  <C value="-3.0727" />
+  <D value="0.0001059" />
+  <E value="-0.0000070674" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="475" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24120" />
+  <B value="264.28" />
+  <C value="0.15315" />
+  <D value="-0.00032867" />
+  <E value="1.3378E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.878" />
+  <B value="2544.1" />
+  <C value="-38.058" />
+  <Tmin units="K"  value="285.51" />
+  <Tmax units="K"  value="419.22" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.36839" />
+  <B value="-0.050845" />
+  <C value="0.000079655" />
+  <Tmin units="K"  value="121.75" />
+  <Tmax units="K"  value="310.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.28749" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.946116E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.5959" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02929" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.039" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.659575" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24255" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10792" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5933" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.103" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00233" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.13212" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.206" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1078" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="627-20-3" />
+<Smiles name="SMILES"  value="C/C=C\CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="211" />
+<CompoundID name="Name"  value="Trans-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="474.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.293" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="309.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.89" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00574" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="70.1329" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1091" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248372" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.28E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05451" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.75E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.11E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.98E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8351700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84315" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.119E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.26" />
+  <B value="-0.011808" />
+  <Tmin units="K"  value="53.16" />
+  <Tmax units="K"  value="132.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.9122" />
+  <B value="0.26869" />
+  <C value="474.2" />
+  <D value="0.28253" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.717" />
+  <B value="-5422.6" />
+  <C value="-8.6403" />
+  <D value="0.0000092035" />
+  <E value="2" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3712E+07" />
+  <B value="0.84137" />
+  <C value="-0.81266" />
+  <D value="0.47134" />
+  <E value="-0.094225" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12202" />
+  <B value="1040.4" />
+  <C value="1.6545" />
+  <D value="-0.062663" />
+  <E value="0.00025784" />
+  <Tmin units="K"  value="12.77" />
+  <Tmax units="K"  value="132.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117170" />
+  <B value="204.39" />
+  <C value="5.1039" />
+  <D value="0.022516" />
+  <E value="-0.00002152" />
+  <Tmin units="K"  value="132.93" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79715" />
+  <B value="-780.23" />
+  <C value="12.979" />
+  <D value="-0.00024552" />
+  <E value="0.0000000696" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17394" />
+  <B value="-181.62" />
+  <C value="-16.872" />
+  <D value="-647.46" />
+  <E value="513.41" />
+  <Tmin units="K"  value="203" />
+  <Tmax units="K"  value="1900" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.52" />
+  <B value="657.15" />
+  <C value="-0.02693" />
+  <D value="1.6882E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2614E-07" />
+  <B value="0.75299" />
+  <C value="74.21" />
+  <D value="1685.7" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074338" />
+  <B value="-10.004" />
+  <C value="-1.1218" />
+  <D value="-0.0016085" />
+  <E value="-2.2796E-07" />
+  <Tmin units="K"  value="130" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000026669" />
+  <B value="1.1894" />
+  <C value="-123.11" />
+  <D value="111540" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093368" />
+  <B value="32.021" />
+  <C value="-3.2884" />
+  <D value="0.0008863" />
+  <E value="-0.0000084191" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="474.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2246.808" />
+  <B value="415.4754" />
+  <C value="-0.211798" />
+  <D value="0.0000400409" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.965" />
+  <B value="2590.5" />
+  <C value="-35.057" />
+  <Tmin units="K"  value="284.95" />
+  <Tmax units="K"  value="420.31" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.78372" />
+  <B value="-0.047294" />
+  <C value="0.000072515" />
+  <Tmin units="K"  value="132.89" />
+  <Tmax units="K"  value="309.49" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.29289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.911778E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="285.3139" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268765" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="102.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02405" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0392" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.652263" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23984" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5933" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.103" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001574" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.09675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.209" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14420.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="646-04-8" />
+<Smiles name="SMILES"  value="C/C=C/CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1053" />
+<CompoundID name="Name"  value="3-pentanone" />
+<StructureFormula name="Structure"  value="CH3CH2COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.336" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.14" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="73.4224" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10641" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.583E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.579E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.344E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.159E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.069" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8804E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.822" />
+  <B value="-0.0061115" />
+  <Tmin units="K"  value="93.67" />
+  <Tmax units="K"  value="234.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68664" />
+  <B value="0.23603" />
+  <C value="561.5" />
+  <D value="0.27471" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="543.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.885" />
+  <B value="-6044.5" />
+  <C value="-5.3259" />
+  <D value="0.0000023057" />
+  <E value="2" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.083729E+07" />
+  <B value="0.764461" />
+  <C value="-0.828447" />
+  <D value="-0.00277131" />
+  <E value="0.530942" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6392" />
+  <B value="777.74" />
+  <C value="17.353" />
+  <D value="-0.29853" />
+  <E value="0.001372" />
+  <Tmin units="K"  value="11.16" />
+  <Tmax units="K"  value="119.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="169130" />
+  <B value="405.25" />
+  <C value="3.0239" />
+  <D value="0.024087" />
+  <E value="-0.000018434" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93124" />
+  <B value="-637.87" />
+  <C value="12.577" />
+  <D value="0.00022827" />
+  <E value="-1.0612E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13293" />
+  <B value="-126.32" />
+  <C value="-67.641" />
+  <D value="17238" />
+  <E value="-66712" />
+  <Tmin units="K"  value="280.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-1.367" />
+  <B value="550.49" />
+  <C value="-1.4469" />
+  <D value="4.9148E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002611" />
+  <B value="0.65778" />
+  <C value="216.39" />
+  <D value="-3537.8" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0080662" />
+  <B value="16.294" />
+  <C value="-1.6509" />
+  <D value="-0.0010676" />
+  <E value="-9.5001E-07" />
+  <Tmin units="K"  value="187.86" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="22.162" />
+  <B value="1.0028" />
+  <C value="1.8597E+08" />
+  <D value="9.2842E+08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083353" />
+  <B value="223.31" />
+  <C value="-5.0336" />
+  <D value="0.0065645" />
+  <E value="-0.000012203" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="560.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="67106" />
+  <B value="113.53" />
+  <C value="0.50885" />
+  <D value="-0.00069318" />
+  <E value="2.7047E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.7804" />
+  <B value="-7700" />
+  <C value="-46.2" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.615" />
+  <B value="3357.7" />
+  <C value="-42.268" />
+  <Tmin units="K"  value="337.37" />
+  <Tmax units="K"  value="492.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.9137" />
+  <B value="-0.027945" />
+  <C value="0.000028415" />
+  <Tmin units="K"  value="234.18" />
+  <Tmax units="K"  value="375.14" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3188" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.298875E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.2936" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45383" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0426" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34599" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106401" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.59305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18259.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106401" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-22-0" />
+<Smiles name="SMILES"  value="CCC(=O)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1061" />
+<CompoundID name="Name"  value="Methyl isopropyl ketone" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)COCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3620000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.31" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="367.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.295357" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10791" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.216" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.465E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.21E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05949" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.626E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.393E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="369900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9343000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97206" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.877E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.23" />
+  <B value="-0.0077997" />
+  <Tmin units="K"  value="72.06" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.22922" />
+  <B value="0.13849" />
+  <C value="567.7" />
+  <D value="0.18207" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="533.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="57.033" />
+  <B value="-5794.3" />
+  <C value="-5.09" />
+  <D value="0.0000023975" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3282E+07" />
+  <B value="-7.596951" />
+  <C value="21.963" />
+  <D value="-24.77369" />
+  <E value="10.66731" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10888" />
+  <B value="1207.3" />
+  <C value="-2.162" />
+  <D value="-0.01776" />
+  <E value="0.00010358" />
+  <Tmin units="K"  value="11.38" />
+  <Tmax units="K"  value="168.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142840" />
+  <B value="463.87" />
+  <C value="4.1439" />
+  <D value="0.020347" />
+  <E value="-0.000013989" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="440" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65899" />
+  <B value="-628.39" />
+  <C value="12.858" />
+  <D value="0.000023331" />
+  <E value="-5.0246E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15924" />
+  <B value="-129.27" />
+  <C value="-49.269" />
+  <D value="147.14" />
+  <E value="-29532" />
+  <Tmin units="K"  value="276.7" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.042" />
+  <B value="1043.1" />
+  <C value="-0.038423" />
+  <D value="1.1535E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="367.55" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5484E-07" />
+  <B value="0.72865" />
+  <C value="149.15" />
+  <D value="-3826.1" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11038" />
+  <B value="18.412" />
+  <C value="-1.2824" />
+  <D value="-0.000057222" />
+  <E value="-0.000001541" />
+  <Tmin units="K"  value="165.9" />
+  <Tmax units="K"  value="435.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-6058400" />
+  <B value="-0.090573" />
+  <C value="3.176E+09" />
+  <D value="-2.84E+13" />
+  <Tmin units="K"  value="367.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.034236" />
+  <B value="-71.227" />
+  <C value="-1.6594" />
+  <D value="-0.0035924" />
+  <E value="0.00000136" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="553.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-2912.064" />
+  <B value="498.7328" />
+  <C value="-0.293257" />
+  <D value="0.0000666093" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.404" />
+  <B value="3959.7" />
+  <C value="-3.419" />
+  <Tmin units="K"  value="346.95" />
+  <Tmax units="K"  value="494.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0599" />
+  <B value="-0.046952" />
+  <C value="0.00005801" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="367.55" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3156" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.070876E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="211.2074" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0421" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.814223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3323" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106975" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.412" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.350039" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18253.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106975" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-80-4" />
+<Smiles name="SMILES"  value="CC(=O)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1314" />
+<CompoundID name="Name"  value="N-propyl acetate" />
+<StructureFormula name="Structure"  value="CH3COO(CH2)2CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0171129" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.133" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11572" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.389" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.969E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.063" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.14E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.648E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.204E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.12E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1143" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.672E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.418" />
+  <B value="-0.0076611" />
+  <Tmin units="K"  value="71.26" />
+  <Tmax units="K"  value="178.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57751" />
+  <B value="0.2255" />
+  <C value="549.4" />
+  <D value="0.25884" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.6613" />
+  <B value="-8095.022" />
+  <C value="-12.62161" />
+  <D value="8.999471E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.73" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.047503E+07" />
+  <B value="1.798019" />
+  <C value="-2.259874" />
+  <D value="1.293466" />
+  <E value="-0.333711" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="549.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156890" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124410" />
+  <B value="36.932" />
+  <C value="8.3883" />
+  <D value="0.012662" />
+  <E value="-0.000012028" />
+  <Tmin units="K"  value="192.29" />
+  <Tmax units="K"  value="404.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108820" />
+  <B value="-937.38" />
+  <C value="13.511" />
+  <D value="-0.00062962" />
+  <E value="1.4249E-07" />
+  <Tmin units="K"  value="246.45" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18145" />
+  <B value="-204.54" />
+  <C value="-46.716" />
+  <D value="-11288" />
+  <E value="16065" />
+  <Tmin units="K"  value="274.7" />
+  <Tmax units="K"  value="1922.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.453" />
+  <B value="-157.9" />
+  <C value="-3.9304" />
+  <D value="-3.2102E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9633E-07" />
+  <B value="0.69295" />
+  <C value="104.27" />
+  <D value="10438" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.045513" />
+  <B value="-31.328" />
+  <C value="-1.5572" />
+  <D value="-0.00066538" />
+  <E value="-0.0000053334" />
+  <Tmin units="K"  value="164.82" />
+  <Tmax units="K"  value="434.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1128.5" />
+  <B value="1.014" />
+  <C value="1.1605E+10" />
+  <D value="-1.2869E+11" />
+  <Tmin units="K"  value="374.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012713" />
+  <B value="36.014" />
+  <C value="-3.0794" />
+  <D value="0.00042548" />
+  <E value="-0.0000053616" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="530.17" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10223" />
+  <B value="486.13" />
+  <C value="-0.25647" />
+  <D value="0.000046499" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.185871" />
+  <B value="-3150" />
+  <C value="-18.9" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.084" />
+  <B value="2976" />
+  <C value="-63.384" />
+  <Tmin units="K"  value="331.31" />
+  <Tmax units="K"  value="493.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.1165" />
+  <B value="-0.017929" />
+  <C value="0.000010882" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34279" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.841805E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.0983" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="114.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46308" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0454" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.892752" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.391" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115712" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.153" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.656" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.147" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18004.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115712" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-60-4" />
+<Smiles name="SMILES"  value="CC(=O)OCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="8" />
+<CompoundID name="Name"  value="Isopentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="460.39" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3381000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3083" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="300.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="113.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="113.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00012144" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11646" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.229" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.324E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.34E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05802" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.537E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.405E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5150000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88771" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.23954E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.656" />
+  <B value="-0.013374" />
+  <Tmin units="K"  value="45.3" />
+  <Tmax units="K"  value="113.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.73194" />
+  <B value="0.24835" />
+  <C value="460.99" />
+  <D value="0.25733" />
+  <Tmin units="K"  value="113.15" />
+  <Tmax units="K"  value="460.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.04288" />
+  <B value="-4967.235" />
+  <C value="-7.674379" />
+  <D value="8.659929E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="460.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.14248E+07" />
+  <B value="0.799342" />
+  <C value="-0.581969" />
+  <D value="0.0834724" />
+  <E value="0.117826" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="460.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9226.8" />
+  <B value="944.22" />
+  <C value="12.156" />
+  <D value="-0.25376" />
+  <E value="0.0012526" />
+  <Tmin units="K"  value="13" />
+  <Tmax units="K"  value="113.36" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112460" />
+  <B value="-54.259" />
+  <C value="8.8747" />
+  <D value="0.0083911" />
+  <E value="-0.0000034773" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="59843" />
+  <B value="-493.27" />
+  <C value="12.516" />
+  <D value="0.00046099" />
+  <E value="-1.5305E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16392" />
+  <B value="-173.55" />
+  <C value="-19.026" />
+  <D value="1021.5" />
+  <E value="-2755.1" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="1841.56" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.596" />
+  <B value="889.14" />
+  <C value="0.20472" />
+  <D value="4.0592E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="310" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6346E-08" />
+  <B value="0.82828" />
+  <C value="-68.082" />
+  <D value="25303" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061061" />
+  <B value="89.857" />
+  <C value="-3.522" />
+  <D value="0.0075154" />
+  <E value="-0.000023032" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="368.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00090019" />
+  <B value="0.7738" />
+  <C value="456.82" />
+  <D value="231390" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014311" />
+  <B value="8.316" />
+  <C value="-2.8974" />
+  <D value="-0.00090151" />
+  <E value="-0.0000046238" />
+  <Tmin units="K"  value="113.25" />
+  <Tmax units="K"  value="442.13" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="16288" />
+  <B value="317.54" />
+  <C value="0.20237" />
+  <D value="-0.00043027" />
+  <E value="1.8001E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.366" />
+  <B value="-925" />
+  <C value="-5.55" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.89" />
+  <B value="2541.9" />
+  <C value="-29.563" />
+  <Tmin units="K"  value="276.92" />
+  <Tmax units="K"  value="410" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.49033" />
+  <B value="-0.05312" />
+  <C value="0.00007775" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="310" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30959" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.012938E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="277.0048" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2716" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50468" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0408" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.623442" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23995" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117098" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.82" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.31" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005345" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.94255" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2104" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1174" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="78-78-4" />
+<Smiles name="SMILES"  value="CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="7" />
+<CompoundID name="Name"  value="N-pentane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="469.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3370000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="309.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="143.42" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="143.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0686418" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11522" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.251" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.337E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05803" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.29E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.4676E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8813000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="349450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8401500" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92983" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.24494E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.533" />
+  <B value="-0.006061" />
+  <Tmin units="K"  value="23.15" />
+  <Tmax units="K"  value="143.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77386" />
+  <B value="0.25574" />
+  <C value="469.7" />
+  <D value="0.26319" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.14242" />
+  <B value="-5265.589" />
+  <C value="-7.720709" />
+  <D value="7.151866E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.0854E+07" />
+  <B value="0.25483" />
+  <C value="0.96045" />
+  <D value="-1.5349" />
+  <E value="0.72504" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="469.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10054" />
+  <B value="1010.4" />
+  <C value="4.2663" />
+  <D value="-0.10165" />
+  <E value="0.00042186" />
+  <Tmin units="K"  value="12.29" />
+  <Tmax units="K"  value="134.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122980" />
+  <B value="401.5" />
+  <C value="3.9651" />
+  <D value="0.024056" />
+  <E value="-0.000020161" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="390" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81062" />
+  <B value="-706.86" />
+  <C value="12.962" />
+  <D value="-0.000049298" />
+  <E value="2.8357E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17575" />
+  <B value="-176.68" />
+  <C value="-20.64" />
+  <D value="923.52" />
+  <E value="-3199.2" />
+  <Tmin units="K"  value="217" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-28.93847" />
+  <B value="1176.355" />
+  <C value="3.050544" />
+  <D value="-9.721368E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="137.15" />
+  <Tmax units="K"  value="465.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9173E-08" />
+  <B value="0.85109" />
+  <C value="8.4138" />
+  <D value="3723.2" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.023649" />
+  <B value="-75.089" />
+  <C value="-0.64229" />
+  <D value="-0.005078" />
+  <E value="-2.7196E-07" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="445" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-603.2" />
+  <B value="0.74698" />
+  <C value="-8.1823E+08" />
+  <D value="-8.7865E+09" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013012" />
+  <B value="17.72" />
+  <C value="-3.0334" />
+  <D value="-0.00028732" />
+  <E value="-0.0000056151" />
+  <Tmin units="K"  value="143.42" />
+  <Tmax units="K"  value="452.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="62808" />
+  <B value="-3.0597" />
+  <C value="0.98493" />
+  <D value="-0.0012421" />
+  <E value="4.7833E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.327715" />
+  <B value="-900" />
+  <C value="-5.4" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.95" />
+  <B value="2607.3" />
+  <C value="-32.561" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="421.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2534" />
+  <B value="-0.029652" />
+  <C value="0.000029293" />
+  <Tmin units="K"  value="137.15" />
+  <Tmax units="K"  value="465.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31132" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.13861E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.9286" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2685" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.57909" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.041" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.629729" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2522" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.116126" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8254" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.316" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.316" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000636" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1375" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2387" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1161" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-66-0" />
+<Smiles name="SMILES"  value="CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="9" />
+<CompoundID name="Name"  value="Neopentane" />
+<StructureFormula name="Structure"  value="C(CH3)4" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="433.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3199000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3032" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="282.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="35745.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12216" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.197" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.161E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05801" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6807E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.714E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="305890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3146000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78325" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.25039E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.325" />
+  <B value="-0.0069832" />
+  <Tmin units="K"  value="218.8" />
+  <Tmax units="K"  value="248.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90246" />
+  <B value="0.2775" />
+  <C value="433.8" />
+  <D value="0.29085" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="433.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.887" />
+  <B value="-5169" />
+  <C value="-10.119" />
+  <D value="0.000013061" />
+  <E value="2" />
+  <Tmin units="K"  value="246.05" />
+  <Tmax units="K"  value="433.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.3957E+07" />
+  <B value="0.38208" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="433.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-30040" />
+  <B value="2752.6" />
+  <C value="-37.153" />
+  <D value="0.25213" />
+  <E value="-0.00053456" />
+  <Tmin units="K"  value="20.16" />
+  <Tmax units="K"  value="139.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116590" />
+  <B value="146.32" />
+  <C value="1.9197" />
+  <D value="0.044936" />
+  <E value="-0.000054657" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="288.71" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31525" />
+  <B value="-309.56" />
+  <C value="12.21" />
+  <D value="0.00085791" />
+  <E value="-2.6395E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17011" />
+  <B value="-163.18" />
+  <C value="-15.199" />
+  <D value="1090.5" />
+  <E value="-2506.9" />
+  <Tmin units="K"  value="216.87" />
+  <Tmax units="K"  value="1951.87" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-36.861" />
+  <B value="2459.5" />
+  <C value="3.4416" />
+  <D value="0.0000070474" />
+  <E value="2" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="304" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1019E-07" />
+  <B value="0.5294" />
+  <C value="468.47" />
+  <D value="-22580" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.027667" />
+  <B value="-243.53" />
+  <C value="0.83395" />
+  <D value="-0.010754" />
+  <E value="0.0000058849" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="282.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000044729" />
+  <B value="1.4644" />
+  <C value="-142.95" />
+  <D value="66180" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0033983" />
+  <B value="725.98" />
+  <C value="-11.296" />
+  <D value="0.029733" />
+  <E value="-0.000047837" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="424.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13269.77" />
+  <B value="532.8823" />
+  <C value="-0.298739" />
+  <D value="0.0000708818" />
+  <E value="-1.227225E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.305" />
+  <B value="-885" />
+  <C value="-5.31" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.717" />
+  <B value="2353.3" />
+  <C value="-26.585" />
+  <Tmin units="K"  value="262.75" />
+  <Tmax units="K"  value="390" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.7101" />
+  <B value="-0.069319" />
+  <C value="0.000096523" />
+  <Tmin units="K"  value="256.6" />
+  <Tmax units="K"  value="304" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31257" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.059712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="250.7615" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2762" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.09145" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0402" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.595593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.1975" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119551" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8239" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000695" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.58084" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.195" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14359.41" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1233" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="463-82-1" />
+<Smiles name="SMILES"  value="CC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1592" />
+<CompoundID name="Name"  value="1,2,4-trichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H3)Cl3" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="725" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3720000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.395" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="486.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="290.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="290.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="33.0937" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="181.447" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12525" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.358106" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.832E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20620" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.20291E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10098" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.1757E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.30523E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380911" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.55647E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65632E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.194" />
+  <B value="-0.0039041" />
+  <Tmin units="K"  value="116.06" />
+  <Tmax units="K"  value="290.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61713" />
+  <B value="0.2524" />
+  <C value="725" />
+  <D value="0.2857" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.20405" />
+  <B value="-7460.647" />
+  <C value="-3.164866" />
+  <D value="-3.316432E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.897E+07" />
+  <B value="0.4026" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6586.2" />
+  <B value="796.22" />
+  <C value="-1.4691" />
+  <D value="0.0035279" />
+  <E value="-0.0000037266" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="290.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145370" />
+  <B value="234.69" />
+  <C value="6.2789" />
+  <D value="0.017012" />
+  <E value="-0.000015675" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="486.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63130" />
+  <B value="-426.63" />
+  <C value="12.569" />
+  <D value="-0.000095696" />
+  <E value="1.4713E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27285" />
+  <B value="-397.07" />
+  <C value="-111.19" />
+  <D value="28956" />
+  <E value="-249060" />
+  <Tmin units="K"  value="362.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-241" />
+  <B value="9893.2" />
+  <C value="36.115" />
+  <D value="-0.000047458" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="580" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.2097E-08" />
+  <B value="0.80621" />
+  <C value="99.511" />
+  <D value="1477.5" />
+  <Tmin units="K"  value="486.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.070105" />
+  <B value="-290.72" />
+  <C value="-0.20366" />
+  <D value="-0.0074415" />
+  <E value="0.0000024779" />
+  <Tmin units="K"  value="285.15" />
+  <Tmax units="K"  value="486.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-743.07" />
+  <B value="0.74159" />
+  <C value="-2.1746E+09" />
+  <D value="-6.4502E+10" />
+  <Tmin units="K"  value="486.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0099086" />
+  <B value="212.19" />
+  <C value="-4.1394" />
+  <D value="0.0037352" />
+  <E value="-0.0000066653" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="725" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13485" />
+  <B value="490.78" />
+  <C value="-0.36646" />
+  <D value="0.000098813" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.92" />
+  <B value="4632.7" />
+  <C value="-40.49" />
+  <Tmin units="K"  value="435.15" />
+  <Tmax units="K"  value="633.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.8536" />
+  <B value="-0.0055643" />
+  <C value="-0.0000085016" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="580" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563146" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.440056E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.0221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259136" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.03" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.4595" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358106" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12525" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0625" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.732" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358106" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20618.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12525" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="54"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="40"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="42"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="54"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="53"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="120-82-1" />
+<Smiles name="SMILES"  value="c1(Cl)c(Cl)cc(Cl)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1573" />
+<CompoundID name="Name"  value="M-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="683.95" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="248.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="248.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.40787" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.114533" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.27898" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.389E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19570" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06732" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.57E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.79E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343530" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.259E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89625" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.825E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.566" />
+  <B value="-0.0051312" />
+  <Tmin units="K"  value="99.36" />
+  <Tmax units="K"  value="248.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74132" />
+  <B value="0.26094" />
+  <C value="683.95" />
+  <D value="0.31392" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.37" />
+  <B value="-9087" />
+  <C value="-11.404" />
+  <D value="0.0000055122" />
+  <E value="2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2076E+07" />
+  <B value="0.15554" />
+  <C value="-0.20298" />
+  <D value="0.94291" />
+  <E value="-0.55524" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35.885" />
+  <B value="2025.5" />
+  <C value="-13.455" />
+  <D value="0.039723" />
+  <E value="-0.000043973" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="230.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89111" />
+  <B value="785.31" />
+  <C value="3.6098" />
+  <D value="0.022491" />
+  <E value="-0.00001896" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="446.23" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56066" />
+  <B value="-490.93" />
+  <C value="12.649" />
+  <D value="-0.00012726" />
+  <E value="2.3703E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24322" />
+  <B value="-355.19" />
+  <C value="-67.685" />
+  <D value="-40405" />
+  <E value="47635" />
+  <Tmin units="K"  value="341.97" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-114.79" />
+  <B value="4907.5" />
+  <C value="16.374" />
+  <D value="-0.000020623" />
+  <E value="2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="547.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3524E-07" />
+  <B value="0.71383" />
+  <C value="257.29" />
+  <D value="1880.2" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.042347" />
+  <B value="-224.09" />
+  <C value="-0.2096" />
+  <D value="-0.006185" />
+  <E value="0.0000024486" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="446.23" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1552.3" />
+  <B value="0.68852" />
+  <C value="-2.6293E+09" />
+  <D value="-1.7751E+11" />
+  <Tmin units="K"  value="446.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018573" />
+  <B value="119.26" />
+  <C value="-3.5049" />
+  <D value="0.0018889" />
+  <E value="-0.0000041728" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="683.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13602.18" />
+  <B value="548.9826" />
+  <C value="-0.450282" />
+  <D value="0.00014267" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.829242" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.137" />
+  <B value="3719.2" />
+  <C value="-59.169" />
+  <Tmin units="K"  value="413.64" />
+  <Tmax units="K"  value="615.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2726" />
+  <B value="-0.019593" />
+  <C value="0.00001463" />
+  <Tmin units="K"  value="248.39" />
+  <Tmax units="K"  value="547.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36165" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.914152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.1505" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0514" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2946" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.215834" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.114641" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.215834" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19575.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.114641" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="541-73-1" />
+<Smiles name="SMILES"  value="c1c([Cl])cccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1572" />
+<CompoundID name="Name"  value="O-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="705" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="453.57" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.48939" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112969" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.219189" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.186E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.02E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.29E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="341850" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.266E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.66193" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.826E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.3487" />
+  <B value="0.023944" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="256.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74261" />
+  <B value="0.26108" />
+  <C value="705" />
+  <D value="0.30655" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="75.75983" />
+  <B value="-8226.762" />
+  <C value="-7.552754" />
+  <D value="6.191298E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.774E+07" />
+  <B value="2.8227" />
+  <C value="-6.8433" />
+  <D value="7.6547" />
+  <E value="-3.1275" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34.618" />
+  <B value="1984.3" />
+  <C value="-12.98" />
+  <D value="0.037736" />
+  <E value="-0.000041136" />
+  <Tmin units="K"  value="224.65" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127840" />
+  <B value="-59.156" />
+  <C value="8.3728" />
+  <D value="0.0093569" />
+  <E value="-0.0000051714" />
+  <Tmin units="K"  value="266.02" />
+  <Tmax units="K"  value="528.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55560" />
+  <B value="-490.51" />
+  <C value="12.648" />
+  <D value="-0.00012186" />
+  <E value="2.1792E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23253" />
+  <B value="-364.15" />
+  <C value="-75.666" />
+  <D value="-71505" />
+  <E value="114590" />
+  <Tmin units="K"  value="352.5" />
+  <Tmax units="K"  value="1937.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.699" />
+  <B value="2377" />
+  <C value="4.0848" />
+  <D value="-0.0000020768" />
+  <E value="2" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="453.57" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6041E-07" />
+  <B value="0.76289" />
+  <C value="205.1" />
+  <D value="-39.728" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06919" />
+  <B value="-379.09" />
+  <C value="0.89948" />
+  <D value="-0.0099037" />
+  <E value="0.0000041677" />
+  <Tmin units="K"  value="262.87" />
+  <Tmax units="K"  value="351.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1200.2" />
+  <B value="0.7235" />
+  <C value="-2.8422E+09" />
+  <D value="-8.8684E+10" />
+  <Tmin units="K"  value="453.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003373" />
+  <B value="482.91" />
+  <C value="-6.8665" />
+  <D value="0.011374" />
+  <E value="-0.00001512" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="705" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14297.98" />
+  <B value="550.447" />
+  <C value="-0.451286" />
+  <D value="0.000142863" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.104208" />
+  <B value="-3750" />
+  <C value="-22.5" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.671" />
+  <B value="3414.3" />
+  <C value="-79.992" />
+  <Tmin units="K"  value="428.95" />
+  <Tmax units="K"  value="634.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0621" />
+  <B value="-0.037459" />
+  <C value="0.000039274" />
+  <Tmin units="K"  value="256.15" />
+  <Tmax units="K"  value="453.57" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.361537" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.152857E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.8836" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271326" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1558" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0495" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.3118" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.214215" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.11318" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.5483" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.214215" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20271.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.11318" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-50-1" />
+<Smiles name="SMILES"  value="c1([Cl])ccccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1574" />
+<CompoundID name="Name"  value="P-dichlorobenzene" />
+<StructureFormula name="Structure"  value="(C6H4)Cl2" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="684.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4070000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="447.21" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="326.14" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="326.14" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1225.03" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="147.002" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.117406" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.284638" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.149E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06732" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.22E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.25E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.67E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.82E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.61751" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.802E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.872" />
+  <B value="-0.0022226" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="326.14" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74861" />
+  <B value="0.26271" />
+  <C value="684.75" />
+  <D value="0.30815" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="684.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="40.63688" />
+  <B value="-6607.72" />
+  <C value="-2.221184" />
+  <D value="-3.90747E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="684.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.112633E+07" />
+  <B value="0.426201" />
+  <C value="-0.0366365" />
+  <D value="0.00811781" />
+  <E value="-0.00754654" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="684.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5903.9" />
+  <B value="798.4" />
+  <C value="-2.8553" />
+  <D value="0.0083402" />
+  <E value="-0.0000080094" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="320" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="155200" />
+  <B value="855.07" />
+  <C value="0.88585" />
+  <D value="0.024843" />
+  <E value="-0.000014582" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="513.56" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55695" />
+  <B value="-489.46" />
+  <C value="12.649" />
+  <D value="-0.00012524" />
+  <E value="2.3115E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23632" />
+  <B value="-343.91" />
+  <C value="-71.253" />
+  <D value="-46.219" />
+  <E value="-58041" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-131.86" />
+  <B value="5312.8" />
+  <C value="19.284" />
+  <D value="-0.000029085" />
+  <E value="2" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="447.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5946E-07" />
+  <B value="0.76369" />
+  <C value="193.94" />
+  <D value="-148.97" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02927" />
+  <B value="-28.287" />
+  <C value="-2.0319" />
+  <D value="0.000077764" />
+  <E value="-0.0000037797" />
+  <Tmin units="K"  value="208.5" />
+  <Tmax units="K"  value="548.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2269.7" />
+  <B value="0.68598" />
+  <C value="-3.774E+09" />
+  <D value="-2.6655E+11" />
+  <Tmin units="K"  value="447.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0075966" />
+  <B value="340.08" />
+  <C value="-5.3586" />
+  <D value="0.0064741" />
+  <E value="-0.0000095368" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="684.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14350.7" />
+  <B value="553.2085" />
+  <C value="-0.455679" />
+  <D value="0.000144745" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.165126" />
+  <B value="-1430" />
+  <C value="-8.58" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.115" />
+  <B value="3752.8" />
+  <C value="-56.114" />
+  <Tmin units="K"  value="420.51" />
+  <Tmax units="K"  value="609.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-4.2213" />
+  <B value="-0.0089482" />
+  <C value="6.2913E-07" />
+  <Tmin units="K"  value="326.14" />
+  <Tmax units="K"  value="447.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36165" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.914152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.5109" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265583" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="128.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.1786" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0501" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.2962" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.234279" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117341" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4376" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.288" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.8932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.234279" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19187.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.117341" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="40"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="42"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="54"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="53"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-46-7" />
+<Smiles name="SMILES"  value="c1cc([Cl])ccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1680" />
+<CompoundID name="Name"  value="Bromobenzene" />
+<StructureFormula name="Structure"  value="(C6H5)Br" />
+<Family name="Family"  value="30" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4519100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.324" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.236" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.43" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.8364" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="157.008" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105567" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.250575" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.466E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06016" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.34E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.05018E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.38532E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="324386" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06274E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95208" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.01917E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8219" />
+  <B value="0.0072956" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="242.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8226" />
+  <B value="0.26632" />
+  <C value="670.15" />
+  <D value="0.2821" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="670.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="146.6319" />
+  <B value="-10375.07" />
+  <C value="-18.74897" />
+  <D value="0.0000147083" />
+  <E value="2" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="670.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.656362E+07" />
+  <B value="0.347537" />
+  <C value="0.135082" />
+  <D value="0.0123621" />
+  <E value="-0.140849" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="647.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23455" />
+  <B value="406.81" />
+  <C value="-1.101" />
+  <D value="0.0059523" />
+  <E value="-0.0000047316" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="239.99" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97487" />
+  <B value="953.8" />
+  <C value="2.1839" />
+  <D value="0.023716" />
+  <E value="-0.000017458" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="495.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65656" />
+  <B value="-767.67" />
+  <C value="13.165" />
+  <D value="-0.00063667" />
+  <E value="1.8215E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20016" />
+  <B value="-288.53" />
+  <C value="-61.836" />
+  <D value="76562" />
+  <E value="-287190" />
+  <Tmin units="K"  value="335.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-54.93" />
+  <B value="2754.4" />
+  <C value="6.973" />
+  <D value="-0.000009784" />
+  <E value="2" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2327E-07" />
+  <B value="0.71456" />
+  <C value="185.02" />
+  <D value="-22.393" />
+  <Tmin units="K"  value="429.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032562" />
+  <B value="-180.04" />
+  <C value="-0.56464" />
+  <D value="-0.0046562" />
+  <E value="1.7973E-07" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025787" />
+  <B value="0.79923" />
+  <C value="269.79" />
+  <D value="163730" />
+  <Tmin units="K"  value="429.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014274" />
+  <B value="52.267" />
+  <C value="-2.9864" />
+  <D value="0.00054996" />
+  <E value="-0.0000038815" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="647.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-28313.55" />
+  <B value="532.5813" />
+  <C value="-0.404723" />
+  <D value="0.000119696" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.349052" />
+  <B value="-2700" />
+  <C value="-16.2" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="3407.3" />
+  <C value="-63.769" />
+  <Tmin units="K"  value="403.15" />
+  <Tmax units="K"  value="602.62" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.83085" />
+  <B value="-0.037331" />
+  <C value="0.000039165" />
+  <Tmin units="K"  value="242.43" />
+  <Tmax units="K"  value="429.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.321534" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.365214E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="357.2119" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="110.55" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.77161" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0459" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.50093" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.250575" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.105567" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9709" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5658" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.250575" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19944.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.105567" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="65"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="44"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="65"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="64"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-86-1" />
+<Smiles name="SMILES"  value="c1(Br)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1571" />
+<CompoundID name="Name"  value="Monochlorobenzene" />
+<StructureFormula name="Structure"  value="C6H5Cl" />
+<Family name="Family"  value="29" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="632.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4520000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.308" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.91" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="227.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="227.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8.4456" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.558" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10222" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.251" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.603E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.64E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05784" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.14E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.109E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.829E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="314030" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9556000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81651" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.976E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.164" />
+  <B value="-0.0063358" />
+  <Tmin units="K"  value="91.18" />
+  <Tmax units="K"  value="227.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78287" />
+  <B value="0.25464" />
+  <C value="632.4" />
+  <D value="0.26342" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.41334" />
+  <B value="-6020.539" />
+  <C value="-4.204143" />
+  <D value="1.293848E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9039E+07" />
+  <B value="0.24473" />
+  <C value="-0.048652" />
+  <D value="0.40537" />
+  <E value="-0.25012" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15722" />
+  <B value="756.66" />
+  <C value="1.4275" />
+  <D value="-0.025177" />
+  <E value="0.000067134" />
+  <Tmin units="K"  value="89.99" />
+  <Tmax units="K"  value="227.95" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139150" />
+  <B value="-333.42" />
+  <C value="10.906" />
+  <D value="-0.018036" />
+  <E value="0.000054846" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74680" />
+  <B value="-1001.5" />
+  <C value="13.827" />
+  <D value="-0.0014014" />
+  <E value="4.6413E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19009" />
+  <B value="-259.98" />
+  <C value="-46.648" />
+  <D value="20404" />
+  <E value="-83538" />
+  <Tmin units="K"  value="316.18" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.029483" />
+  <B value="556.49" />
+  <C value="-1.5963" />
+  <D value="1.2171E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1217E-07" />
+  <B value="0.79382" />
+  <C value="109.37" />
+  <D value="1134.4" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.083427" />
+  <B value="-157.94" />
+  <C value="-0.89724" />
+  <D value="-0.0049259" />
+  <E value="-0.0000027589" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="404.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0004167" />
+  <B value="0.92033" />
+  <C value="1902.9" />
+  <D value="123750" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095824" />
+  <B value="101.65" />
+  <C value="-3.6063" />
+  <D value="0.0024021" />
+  <E value="-0.0000068537" />
+  <Tmin units="K"  value="227.95" />
+  <Tmax units="K"  value="632.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="864.71" />
+  <B value="318.34" />
+  <C value="0.15033" />
+  <D value="-0.00047659" />
+  <E value="2.2599E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.352017" />
+  <B value="-2800" />
+  <C value="-16.8" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.211" />
+  <B value="3480.2" />
+  <C value="-45.686" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="568.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.6012" />
+  <B value="-0.01988" />
+  <C value="0.000015158" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.202025E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="346.4098" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="109.65" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.33097" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0434" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.106" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24605" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.79" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.84" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.65335" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2459" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19345.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="54"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="40"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="54"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="53"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-90-7" />
+<Smiles name="SMILES"  value="c1ccccc1([Cl])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1691" />
+<CompoundID name="Name"  value="Iodobenzene" />
+<StructureFormula name="Structure"  value="C6H5I" />
+<Family name="Family"  value="31" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="721.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4519100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.351" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="461.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="241.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="241.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.17521" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="204.008" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.111976" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.246574" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06548" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.82E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.649E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.902E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9749000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88464" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.05E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3334" />
+  <B value="2.2E-16" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="251.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7521" />
+  <B value="0.26381" />
+  <C value="721.15" />
+  <D value="0.2895" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.186" />
+  <B value="-8185.3" />
+  <C value="-8.2636" />
+  <D value="0.0000035963" />
+  <E value="2" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.148821E+07" />
+  <B value="0.433906" />
+  <C value="-0.0102943" />
+  <D value="-0.0130647" />
+  <E value="-0.0329532" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6576" />
+  <B value="738.1" />
+  <C value="-3.3528" />
+  <D value="0.013129" />
+  <E value="-0.000016135" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="241.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139830" />
+  <B value="578.69" />
+  <C value="1.6453" />
+  <D value="0.031278" />
+  <E value="-0.000034279" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63442" />
+  <B value="-692.72" />
+  <C value="13.003" />
+  <D value="-0.00048297" />
+  <E value="1.3499E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22331" />
+  <B value="-352.07" />
+  <C value="-71.715" />
+  <D value="-10058" />
+  <E value="-45757" />
+  <Tmin units="K"  value="360.57" />
+  <Tmax units="K"  value="1980.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-57.177" />
+  <B value="3157.8" />
+  <C value="7.1529" />
+  <D value="-0.0000070913" />
+  <E value="2" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1908E-07" />
+  <B value="0.74366" />
+  <C value="231.22" />
+  <D value="-43.688" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.077923" />
+  <B value="1284.8" />
+  <C value="-17.082" />
+  <D value="0.050362" />
+  <E value="-0.00006779" />
+  <Tmin units="K"  value="216.35" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026878" />
+  <B value="0.78911" />
+  <C value="373.97" />
+  <D value="187720" />
+  <Tmin units="K"  value="461.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010772" />
+  <B value="65.841" />
+  <C value="-3.1409" />
+  <D value="0.0010009" />
+  <E value="-0.0000042785" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="721.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-24781" />
+  <B value="533.2927" />
+  <C value="-0.414111" />
+  <D value="0.000125704" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.488623" />
+  <B value="-2300" />
+  <C value="-13.8" />
+  <Tmin units="K"  value="154" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.202" />
+  <B value="3942.3" />
+  <C value="-54.218" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="645.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2239" />
+  <B value="-0.04181" />
+  <C value="0.000043079" />
+  <Tmin units="K"  value="241.83" />
+  <Tmax units="K"  value="461.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.351265" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.47817E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="395.0244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.45" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.26194" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0498" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.83757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.246574" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.111976" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2857" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.112" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.61965" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.246574" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20367.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.111976" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="64"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="45"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="64"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="63"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-50-4" />
+<Smiles name="SMILES"  value="c1(I)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1886" />
+<CompoundID name="Name"  value="Nitrobenzene" />
+<StructureFormula name="Structure"  value="C6H5NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="719" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.349" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="483.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="278.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="278.87" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.69814" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="123.109" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.102717" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.449158" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.944E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.41E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06264" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.85E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.75E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.63E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="342100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.16E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4767" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9782E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.1859" />
+  <B value="0.020494" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="282.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69124" />
+  <B value="0.24124" />
+  <C value="719" />
+  <D value="0.28137" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="719" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.2302" />
+  <B value="-10538.91" />
+  <C value="-12.95686" />
+  <D value="5.116363E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="719" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9884E+07" />
+  <B value="-2.0813" />
+  <C value="7.5215" />
+  <D value="-8.8126" />
+  <E value="3.6947" />
+  <Tmin units="K"  value="278.91" />
+  <Tmax units="K"  value="695.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39285" />
+  <B value="201.2" />
+  <C value="0.90502" />
+  <D value="-0.0016563" />
+  <E value="0.0000028762" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="270" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146460" />
+  <B value="1160.6" />
+  <C value="0.44135" />
+  <D value="0.024575" />
+  <E value="-0.000013049" />
+  <Tmin units="K"  value="278.87" />
+  <Tmax units="K"  value="483.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112710" />
+  <B value="-1114.3" />
+  <C value="13.93" />
+  <D value="-0.0013044" />
+  <E value="3.7699E-07" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23371" />
+  <B value="-316.86" />
+  <C value="-98.829" />
+  <D value="-51500" />
+  <E value="36178" />
+  <Tmin units="K"  value="359.5" />
+  <Tmax units="K"  value="1974.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.652" />
+  <B value="4202" />
+  <C value="10.37" />
+  <D value="-0.0000091095" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="480.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1361E-07" />
+  <B value="0.80626" />
+  <C value="193.03" />
+  <D value="-46.762" />
+  <Tmin units="K"  value="278.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11293" />
+  <B value="-401.92" />
+  <C value="1.2826" />
+  <D value="-0.013207" />
+  <E value="0.0000075932" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014373" />
+  <B value="0.9615" />
+  <C value="718" />
+  <D value="-0.0027852" />
+  <Tmin units="K"  value="483.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018708" />
+  <B value="98.592" />
+  <C value="-3.1839" />
+  <D value="0.0013401" />
+  <E value="-0.0000036822" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="719" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16636" />
+  <B value="456.07" />
+  <C value="-0.27615" />
+  <D value="0.00006178" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-6.224487" />
+  <B value="-8439.716" />
+  <C value="-90.14595" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="719" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.399" />
+  <B value="4170.3" />
+  <C value="-61.504" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="626.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.9368" />
+  <B value="-0.038924" />
+  <C value="0.000038297" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="480.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335341" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.708113E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="352.6966" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251146" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.41" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.7519" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.20656" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.447966" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.102717" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.13" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.14" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.5743" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447966" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22612.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.102717" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-95-3" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="501" />
+<CompoundID name="Name"  value="Benzene" />
+<StructureFormula name="Structure"  value="-CHCHCHCHCHCH-" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4895000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.256" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="278.68" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="278.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4764.22" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.114" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08941" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.209" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.004E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0484" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.288E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.296E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="269300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9866000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8356" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.136E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.059" />
+  <B value="-0.00034838" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="282.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99938" />
+  <B value="0.26348" />
+  <C value="562.05" />
+  <D value="0.27856" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.368" />
+  <B value="-6712.9" />
+  <C value="-10.022" />
+  <D value="0.000007694" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="562.16" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.881E+07" />
+  <B value="0.61066" />
+  <C value="-0.25882" />
+  <D value="0.032238" />
+  <E value="0.022475" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-124.61" />
+  <B value="909.02" />
+  <C value="-6.049" />
+  <D value="0.022885" />
+  <E value="-0.000024638" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="278.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111460" />
+  <B value="-1854.3" />
+  <C value="22.399" />
+  <D value="-0.028936" />
+  <E value="0.000028991" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34010.24" />
+  <B value="-588.0978" />
+  <C value="12.81777" />
+  <D value="-0.000197306" />
+  <E value="5.142899E-08" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17507" />
+  <B value="-220.13" />
+  <C value="-18.085" />
+  <D value="-7404.6" />
+  <E value="16690" />
+  <Tmin units="K"  value="281.02" />
+  <Tmax units="K"  value="1967" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.61" />
+  <B value="1576.5" />
+  <C value="2.1698" />
+  <D value="-0.0000051366" />
+  <E value="2" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="545" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1366E-08" />
+  <B value="0.9675" />
+  <C value="8.0285" />
+  <D value="-35.629" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.049539" />
+  <B value="-177.97" />
+  <C value="0.19475" />
+  <D value="-0.0073805" />
+  <E value="0.0000027938" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000049549" />
+  <B value="1.4519" />
+  <C value="154.14" />
+  <D value="26202" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02575" />
+  <B value="-212.19" />
+  <C value="-0.62089" />
+  <D value="-0.0059738" />
+  <E value="0.0000021771" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="562.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29525" />
+  <B value="-51.417" />
+  <C value="1.1944" />
+  <D value="-0.0016468" />
+  <E value="6.8461E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.717467" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.075" />
+  <B value="2977.3" />
+  <C value="-41.505" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="505.4" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.719" />
+  <B value="-0.019734" />
+  <C value="0.000013263" />
+  <Tmin units="K"  value="278.68" />
+  <Tmax units="K"  value="545" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.25639" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.753029E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.6073" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2696" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="90.95999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.375" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0367" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.882619" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21367" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08941" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1878" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.4" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000318" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.9715" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.213" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18736.78" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0894" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-43-2" />
+<Smiles name="SMILES"  value="c1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1181" />
+<CompoundID name="Name"  value="Phenol" />
+<StructureFormula name="Structure"  value="(C6H5)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="694.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.04" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="314.06" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="314.06" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="187.979" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="94.113" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08787" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.442" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.415E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0538" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.6399E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.2637E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="314810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.151E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.524" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.921E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.394" />
+  <B value="0.0020984" />
+  <Tmin units="K"  value="261.15" />
+  <Tmax units="K"  value="314.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4937" />
+  <B value="0.32883" />
+  <C value="694.25" />
+  <D value="0.34018" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="688.71" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="300.97" />
+  <B value="-20269" />
+  <C value="-40.743" />
+  <D value="0.000021631" />
+  <E value="2" />
+  <Tmin units="K"  value="310.45" />
+  <Tmax units="K"  value="694.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.270282E+07" />
+  <B value="-0.265673" />
+  <C value="2.248545" />
+  <D value="-2.018709" />
+  <E value="0.353169" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="674.24" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2513.5" />
+  <B value="793.73" />
+  <C value="-4.1506" />
+  <D value="0.014189" />
+  <E value="-0.000014807" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="314.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86710" />
+  <B value="-628.11" />
+  <C value="15.735" />
+  <D value="-0.0091743" />
+  <E value="0.0000081827" />
+  <Tmin units="K"  value="314.05" />
+  <Tmax units="K"  value="655.37" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39758" />
+  <B value="-470.56" />
+  <C value="12.627" />
+  <D value="0.000068347" />
+  <E value="-4.9708E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22714" />
+  <B value="-180.33" />
+  <C value="-95.063" />
+  <D value="-17328" />
+  <E value="21635" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-203.001" />
+  <B value="10884.21" />
+  <C value="28.73615" />
+  <D value="-0.0000224564" />
+  <E value="2" />
+  <Tmin units="K"  value="291.45" />
+  <Tmax units="K"  value="555.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0771E-07" />
+  <B value="0.79384" />
+  <C value="145.89" />
+  <D value="-11364" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14109" />
+  <B value="-966.5" />
+  <C value="10.659" />
+  <D value="-0.049095" />
+  <E value="0.000038703" />
+  <Tmin units="K"  value="314.06" />
+  <Tmax units="K"  value="454.99" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.03495" />
+  <B value="0.27845" />
+  <C value="1585.2" />
+  <D value="862070" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.047876" />
+  <B value="-16.307" />
+  <C value="-2.0376" />
+  <D value="-0.0009046" />
+  <E value="-0.0000007358" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="674.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21468" />
+  <B value="145.51" />
+  <C value="0.73949" />
+  <D value="-0.0012002" />
+  <E value="5.2523E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="11.2" />
+  <B value="-1000" />
+  <C value="-50" />
+  <Tmin units="K"  value="313" />
+  <Tmax units="K"  value="694" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.465" />
+  <B value="3610.5" />
+  <C value="-91.898" />
+  <Tmin units="K"  value="417" />
+  <Tmax units="K"  value="620" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.57041" />
+  <B value="-0.0078308" />
+  <C value="-0.000023564" />
+  <Tmin units="K"  value="291.45" />
+  <Tmax units="K"  value="555.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2809" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.234419E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="278.3631" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.06999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.46962" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.04" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.05593" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42969" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08314" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.5517" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.68" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="1.78" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.50049" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.442" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24632.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0889403" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="18"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="18"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="16"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="18"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="17"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-95-2" />
+<Smiles name="SMILES"  value="c1ccccc1(O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1792" />
+<CompoundID name="Name"  value="Aniline" />
+<StructureFormula name="Structure"  value="C6H5NH2" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="699" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.2739" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="457.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.13" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.13" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.13219" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="93.128" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09152" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.38" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.436E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05638" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.04E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.668E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="319800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.054E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.23512" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.239E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.175" />
+  <B value="-0.0058627" />
+  <Tmin units="K"  value="106.85" />
+  <Tmax units="K"  value="267.13" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0034" />
+  <B value="0.27828" />
+  <C value="699.16" />
+  <D value="0.26553" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="699.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.415" />
+  <B value="-7256.776" />
+  <C value="-3.968851" />
+  <D value="1.89237E-06" />
+  <E value="1.941839" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.518054E+07" />
+  <B value="-0.829815" />
+  <C value="5.221579" />
+  <D value="-7.587726" />
+  <E value="3.672676" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3106" />
+  <B value="718.22" />
+  <C value="-3.6674" />
+  <D value="0.016118" />
+  <E value="-0.000021313" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="267.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113560" />
+  <B value="-229.45" />
+  <C value="12.348" />
+  <D value="-0.001777" />
+  <E value="0.0000025731" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="457.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="53776" />
+  <B value="-561.43" />
+  <C value="12.878" />
+  <D value="-0.00018357" />
+  <E value="4.6595E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.043471" />
+  <B value="-226.46" />
+  <C value="-55.939" />
+  <D value="-9629.2" />
+  <E value="9349.5" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-411.9909" />
+  <B value="17880.72" />
+  <C value="61.83069" />
+  <D value="-0.0000659764" />
+  <E value="2" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="559.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8398E-07" />
+  <B value="0.71832" />
+  <C value="209.33" />
+  <D value="-5579.1" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065783" />
+  <B value="-186.09" />
+  <C value="-0.85045" />
+  <D value="-0.0016475" />
+  <E value="-0.0000028261" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025341" />
+  <B value="0.90822" />
+  <C value="897.01" />
+  <D value="-19862" />
+  <Tmin units="K"  value="457.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.05644" />
+  <B value="-22.461" />
+  <C value="-1.8774" />
+  <D value="-0.0010936" />
+  <E value="-4.1576E-07" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="699" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21601" />
+  <B value="165.76" />
+  <C value="0.70158" />
+  <D value="-0.0011115" />
+  <E value="0.0000004681" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.694498" />
+  <B value="-3535" />
+  <C value="-21.21" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.729" />
+  <B value="3936.8" />
+  <C value="-71.33" />
+  <Tmin units="K"  value="420.7" />
+  <Tmax units="K"  value="623.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="7.3538" />
+  <B value="-0.06058" />
+  <C value="0.000058645" />
+  <Tmin units="K"  value="267.13" />
+  <Tmax units="K"  value="559.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2901" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.21662E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="338.1071" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.80999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.62382" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0422" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.02441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.38089" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0916034" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.82" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.45596" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.404143" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24125.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0916034" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="37"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="43"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="37"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="36"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="62-53-3" />
+<Smiles name="SMILES"  value="c1(N)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1080" />
+<CompoundID name="Name"  value="Cyclohexanone" />
+<StructureFormula name="Structure"  value="-CH2CO(CH2)3CH2-" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="653" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.311" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="428.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.80118" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.143" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.104111" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.299006" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.511E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.03E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.261E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.028E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334260" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1190000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.931362" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.299E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.803" />
+  <B value="-0.0058836" />
+  <Tmin units="K"  value="96.8" />
+  <Tmax units="K"  value="242" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8601" />
+  <B value="0.26829" />
+  <C value="653" />
+  <D value="0.29808" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="69.93885" />
+  <B value="-7280.529" />
+  <C value="-6.943105" />
+  <D value="3.624646E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="241.45" />
+  <Tmax units="K"  value="653" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.763E+07" />
+  <B value="1.0666" />
+  <C value="-1.0647" />
+  <D value="0.39633" />
+  <E value="0.019258" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5371.7" />
+  <B value="717.87" />
+  <C value="-1.4937" />
+  <D value="0.0041059" />
+  <E value="-0.0000050183" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="242" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="17987" />
+  <B value="-72.539" />
+  <C value="10.794" />
+  <D value="0.0063056" />
+  <E value="-0.0000049607" />
+  <Tmin units="K"  value="250.9" />
+  <Tmax units="K"  value="489.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63931" />
+  <B value="-772.15" />
+  <C value="13.468" />
+  <D value="-0.00038098" />
+  <E value="7.7306E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.191" />
+  <B value="-261.99" />
+  <C value="-70.335" />
+  <D value="-58777" />
+  <E value="93808" />
+  <Tmin units="K"  value="326.5" />
+  <Tmax units="K"  value="1791.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.877" />
+  <B value="3012.8" />
+  <C value="3.7501" />
+  <D value="0.0000021994" />
+  <E value="2" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.3484E-08" />
+  <B value="0.89115" />
+  <C value="65.345" />
+  <D value="-657.26" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11507" />
+  <B value="-853.65" />
+  <C value="4.7946" />
+  <D value="-0.021722" />
+  <E value="0.0000091954" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-1104.9" />
+  <B value="-0.018396" />
+  <C value="479160" />
+  <D value="-8.1392E+09" />
+  <Tmin units="K"  value="428.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011699" />
+  <B value="67.123" />
+  <C value="-3.1713" />
+  <D value="0.0010174" />
+  <E value="-0.0000048961" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="631.37" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37786.54" />
+  <B value="553.5432" />
+  <C value="-0.19528" />
+  <D value="-0.000015263" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.94714" />
+  <B value="-9100" />
+  <C value="-54.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.878" />
+  <B value="4095.6" />
+  <C value="-32.667" />
+  <Tmin units="K"  value="392" />
+  <Tmax units="K"  value="566.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.2624" />
+  <B value="-0.062923" />
+  <C value="0.000071015" />
+  <Tmin units="K"  value="242" />
+  <Tmax units="K"  value="428.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3271" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.4136E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="211.4629" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="124.61" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0447" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.950333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.44089" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104167" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.07" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.11" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.445" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20139.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104167" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="19"  value="1" />
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-94-1" />
+<Smiles name="SMILES"  value="C1(=O)CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="137" />
+<CompoundID name="Name"  value="Cyclohexane" />
+<StructureFormula name="Structure"  value="-(CH2)6-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4073000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.308" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="279.69" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="279.69" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5362.51" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10875" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.211" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.242E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0614" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.233E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.191E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="297276" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2740000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.84082" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.656E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.172" />
+  <B value="-1.6546E-09" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="102.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.93459" />
+  <B value="0.28022" />
+  <C value="553.5" />
+  <D value="0.29409" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="539.37" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.82965" />
+  <B value="-6246.688" />
+  <C value="-8.778766" />
+  <D value="6.933726E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.06" />
+  <Tmax units="K"  value="553.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4856E+07" />
+  <B value="0.35691" />
+  <C value="0.26181" />
+  <D value="-0.47647" />
+  <E value="0.25741" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15676" />
+  <B value="1496.2" />
+  <C value="-12.474" />
+  <D value="0.05833" />
+  <E value="-0.000090756" />
+  <Tmin units="K"  value="12.72" />
+  <Tmax units="K"  value="214.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116110" />
+  <B value="127.67" />
+  <C value="6.7654" />
+  <D value="0.01311" />
+  <E value="-0.0000060013" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42569" />
+  <B value="-588.9" />
+  <C value="12.962" />
+  <D value="0.00028376" />
+  <E value="-1.4009E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18016" />
+  <B value="-184.14" />
+  <C value="-29.307" />
+  <D value="-1704.4" />
+  <E value="611.89" />
+  <Tmin units="K"  value="276.7" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-132.2852" />
+  <B value="5905.41" />
+  <C value="18.88092" />
+  <D value="-0.000023942" />
+  <E value="2" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="443.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7726E-08" />
+  <B value="0.83665" />
+  <C value="36.786" />
+  <D value="-20.301" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="900" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.073881" />
+  <B value="-301.5" />
+  <C value="0.30119" />
+  <D value="-0.0068406" />
+  <E value="-0.0000028646" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="353.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="8.5865E-07" />
+  <B value="1.771" />
+  <C value="243.16" />
+  <D value="-9.1779" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0087482" />
+  <B value="76.318" />
+  <C value="-3.6017" />
+  <D value="0.0023868" />
+  <E value="-0.0000086088" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="539.37" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33549" />
+  <B value="-36.858" />
+  <C value="1.3997" />
+  <D value="-0.0017273" />
+  <E value="6.4404E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.079" />
+  <B value="3073.1" />
+  <C value="-32.254" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="498.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.4141" />
+  <B value="-0.040658" />
+  <C value="0.000041452" />
+  <Tmin units="K"  value="279.69" />
+  <Tmax units="K"  value="443.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.30899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.984576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="337.4554" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2729" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.39847" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.043" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781822" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.21277" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10886" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0464" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.24" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.24" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004637" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.94148" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2032" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16773.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1087" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="13"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-82-7" />
+<Smiles name="SMILES"  value="C1CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="216" />
+<CompoundID name="Name"  value="1-hexene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)3CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="504" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3143000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="336.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="133.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000516" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1259" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.281" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06477" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.11E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.167E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.7E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9347000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91267" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.7397E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.136" />
+  <B value="-0.0098653" />
+  <Tmin units="K"  value="53.36" />
+  <Tmax units="K"  value="133.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42588" />
+  <B value="0.20073" />
+  <C value="504" />
+  <D value="0.21659" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="503.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.18966" />
+  <B value="-5302.032" />
+  <C value="-5.914346" />
+  <D value="4.387106E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="504" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3654E+07" />
+  <B value="0.036065" />
+  <C value="1.7176" />
+  <D value="-2.6805" />
+  <E value="1.3349" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="484.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4541.5" />
+  <B value="446.61" />
+  <C value="22.183" />
+  <D value="-0.29201" />
+  <E value="0.0010887" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="132" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120740" />
+  <B value="197.35" />
+  <C value="7.4671" />
+  <D value="0.012038" />
+  <E value="-0.0000076352" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="404" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79063" />
+  <B value="-588.63" />
+  <C value="12.822" />
+  <D value="0.00010837" />
+  <E value="-3.9549E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20992" />
+  <B value="-237.14" />
+  <C value="-25.743" />
+  <D value="-1791.1" />
+  <E value="2218.7" />
+  <Tmin units="K"  value="251.99" />
+  <Tmax units="K"  value="1763.93" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.027" />
+  <B value="774.41" />
+  <C value="-0.14562" />
+  <D value="-2.993E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="336.63" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.708E-08" />
+  <B value="0.81478" />
+  <C value="53.202" />
+  <D value="774.03" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.049094" />
+  <B value="18.334" />
+  <C value="-2.2175" />
+  <D value="0.0015607" />
+  <E value="-0.000010695" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000064257" />
+  <B value="1.1355" />
+  <C value="445.14" />
+  <D value="64830" />
+  <Tmin units="K"  value="336.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012297" />
+  <B value="11.887" />
+  <C value="-2.8945" />
+  <D value="-0.00077443" />
+  <E value="-0.0000046447" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="484.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="52406" />
+  <B value="102.7" />
+  <C value="0.8529" />
+  <D value="-0.0011866" />
+  <E value="4.7459E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.306" />
+  <B value="2992.5" />
+  <C value="-30.644" />
+  <Tmin units="K"  value="302.74" />
+  <Tmax units="K"  value="445.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.31346" />
+  <B value="-0.05007" />
+  <C value="0.000071081" />
+  <Tmin units="K"  value="133.39" />
+  <Tmax units="K"  value="336.63" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.35089" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.473968E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.8451" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0462" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.671653" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28499" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.125765" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.27" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.64" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003219" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2463" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15136.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1258" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-41-6" />
+<Smiles name="SMILES"  value="C=CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="105" />
+<CompoundID name="Name"  value="Methylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="532.79" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3784000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.319" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="344.98" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="130.73" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="130.73" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000224525" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.11313" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.227" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.299E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06017" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.52E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.062E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.63E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="339900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6929000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89391" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.6741E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.305" />
+  <B value="-0.011236" />
+  <Tmin units="K"  value="52.29" />
+  <Tmax units="K"  value="130.73" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63455" />
+  <B value="0.23477" />
+  <C value="532.79" />
+  <D value="0.24394" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.18203" />
+  <B value="-5470.368" />
+  <C value="-6.215132" />
+  <D value="4.384737E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.986429E+07" />
+  <B value="0.75425" />
+  <C value="-0.186227" />
+  <D value="-0.50621" />
+  <E value="0.35999" />
+  <Tmin units="K"  value="130.72" />
+  <Tmax units="K"  value="532.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21181" />
+  <B value="1799.3" />
+  <C value="-12.463" />
+  <D value="0.018536" />
+  <E value="0.00015326" />
+  <Tmin units="K"  value="20.92" />
+  <Tmax units="K"  value="130.72" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102830" />
+  <B value="317.53" />
+  <C value="4.999" />
+  <D value="0.022368" />
+  <E value="-0.000020298" />
+  <Tmin units="K"  value="126.58" />
+  <Tmax units="K"  value="366.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55624" />
+  <B value="-676.34" />
+  <C value="13.207" />
+  <D value="-0.0001363" />
+  <E value="2.6321E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12419" />
+  <B value="-105.76" />
+  <C value="-38.365" />
+  <D value="4383.1" />
+  <E value="-10749" />
+  <Tmin units="K"  value="250.72" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.2288" />
+  <B value="846.65" />
+  <C value="-0.18612" />
+  <D value="-0.0000022383" />
+  <E value="2" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000009078" />
+  <B value="0.495" />
+  <C value="355.78" />
+  <D value="10.622" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040815" />
+  <B value="4.4808" />
+  <C value="-1.5434" />
+  <D value="-0.00050494" />
+  <E value="-0.0000017671" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="344.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0076653" />
+  <B value="0.48521" />
+  <C value="479.72" />
+  <D value="658190" />
+  <Tmin units="K"  value="344.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093168" />
+  <B value="26.403" />
+  <C value="-3.0884" />
+  <D value="0.00036246" />
+  <E value="-0.0000065372" />
+  <Tmin units="K"  value="130.73" />
+  <Tmax units="K"  value="532.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44724" />
+  <B value="-68.661" />
+  <C value="1.4378" />
+  <D value="-0.0017998" />
+  <E value="6.8702E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.957" />
+  <B value="2887.5" />
+  <C value="-38.834" />
+  <Tmin units="K"  value="319.7" />
+  <Tmax units="K"  value="477.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.3777" />
+  <B value="-0.03038" />
+  <C value="0.00003135" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="353.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31812" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.081712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="320.5659" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.53959" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0432" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.752065" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23217" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.113042" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.97" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.01" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001461" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1464" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16057.17" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-37-7" />
+<Smiles name="SMILES"  value="C1(C)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1151" />
+<CompoundID name="Name"  value="Cyclohexanol" />
+<StructureFormula name="Structure"  value="-CH(OH)(CH2)4CH2-" />
+<Family name="Family"  value="47" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="650.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4260000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.322" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="296.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="296.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="76.4997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105751" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.369047" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.601E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06484" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.862E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.095E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="327700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1783000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.70742" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.4639E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.987" />
+  <B value="-0.004344" />
+  <Tmin units="K"  value="118.64" />
+  <Tmax units="K"  value="296.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90826" />
+  <B value="0.27716" />
+  <C value="650.1" />
+  <D value="0.30685" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="631.49" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-31.63718" />
+  <B value="-3989.985" />
+  <C value="9.013268" />
+  <D value="-0.0000126698" />
+  <E value="2" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="650.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.128838E+07" />
+  <B value="0.392061" />
+  <C value="-2.168338" />
+  <D value="5.552036" />
+  <E value="-3.376933" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="631.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7568.9" />
+  <B value="1079.5" />
+  <C value="-5.8888" />
+  <D value="0.020493" />
+  <E value="-0.000021735" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="260" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-69485" />
+  <B value="774.7" />
+  <C value="4.4167" />
+  <D value="0.025384" />
+  <E value="-0.000022994" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="434" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82477" />
+  <B value="-807.95" />
+  <C value="13.526" />
+  <D value="-0.00028702" />
+  <E value="2.5016E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21842" />
+  <B value="-283.51" />
+  <C value="-60.937" />
+  <D value="-15490" />
+  <E value="3379.6" />
+  <Tmin units="K"  value="325.05" />
+  <Tmax units="K"  value="1992" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-437.51" />
+  <B value="22529" />
+  <C value="63.787" />
+  <D value="-0.000049001" />
+  <E value="2" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="520.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1528E-08" />
+  <B value="0.83387" />
+  <C value="90.96" />
+  <D value="4936.6" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.075187" />
+  <B value="-249.81" />
+  <C value="-0.16784" />
+  <D value="-0.0068233" />
+  <E value="0.0000026882" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="563.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0030349" />
+  <B value="0.6097" />
+  <C value="669.35" />
+  <D value="478820" />
+  <Tmin units="K"  value="434" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.026687" />
+  <B value="-3.1724" />
+  <C value="-2.4129" />
+  <D value="-0.00081796" />
+  <E value="-0.0000016257" />
+  <Tmin units="K"  value="289.35" />
+  <Tmax units="K"  value="631.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-55496.57" />
+  <B value="720.9032" />
+  <C value="-0.408358" />
+  <D value="0.0000822993" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.352" />
+  <B value="2624.4" />
+  <C value="-136.7" />
+  <Tmin units="K"  value="393.5" />
+  <Tmax units="K"  value="575.68" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="19.441" />
+  <B value="-0.10551" />
+  <C value="0.000099651" />
+  <Tmin units="K"  value="296.6" />
+  <Tmax units="K"  value="520.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3377" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.623128E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="305.6995" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.33694" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0456" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.961934" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5296" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104294" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.27" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.51" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.208" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.514148" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23672.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104294" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-93-0" />
+<Smiles name="SMILES"  value="OC1CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="14" />
+<CompoundID name="Name"  value="2,2-dimethylbutane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)3" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="488.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3080000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3591" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="322.87" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.0748" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13373" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.233" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.476E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13770" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.83E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8468E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8745000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="358340" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="579100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.8342" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8411E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.998" />
+  <B value="-0.0069098" />
+  <Tmin units="K"  value="69.71" />
+  <Tmax units="K"  value="174.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68727" />
+  <B value="0.26184" />
+  <C value="489.01" />
+  <D value="0.26217" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="489" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.2252" />
+  <B value="-6117.857" />
+  <C value="-11.25759" />
+  <D value="0.0000123761" />
+  <E value="2" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="489" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.850808E+07" />
+  <B value="1.595989" />
+  <C value="-1.437803" />
+  <D value="0.0287957" />
+  <E value="0.293443" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="472.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19150" />
+  <B value="1973.9" />
+  <C value="-19.068" />
+  <D value="0.10881" />
+  <E value="-0.0001861" />
+  <Tmin units="K"  value="12.86" />
+  <Tmax units="K"  value="167.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117360" />
+  <B value="-28.344" />
+  <C value="9.2143" />
+  <D value="0.0086854" />
+  <E value="-0.00000596" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73375" />
+  <B value="-521.55" />
+  <C value="12.775" />
+  <D value="0.00038975" />
+  <E value="-1.1854E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19877" />
+  <B value="-197.24" />
+  <C value="-29.493" />
+  <D value="-899.68" />
+  <E value="-190.18" />
+  <Tmin units="K"  value="244.37" />
+  <Tmax units="K"  value="1954.92" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="22.562" />
+  <B value="-455.85" />
+  <C value="-5.0804" />
+  <D value="-5.7101E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9362E-07" />
+  <B value="0.68259" />
+  <C value="102.35" />
+  <D value="-10.082" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038291" />
+  <B value="4.8824" />
+  <C value="-1.6311" />
+  <D value="-0.00047294" />
+  <E value="-0.0000023877" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="322.89" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018521" />
+  <B value="0.9549" />
+  <C value="83.825" />
+  <D value="174320" />
+  <Tmin units="K"  value="322.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012433" />
+  <B value="29.735" />
+  <C value="-3.2504" />
+  <D value="0.00031415" />
+  <E value="-0.0000057433" />
+  <Tmin units="K"  value="174.28" />
+  <Tmax units="K"  value="472.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25002" />
+  <B value="324.75" />
+  <C value="0.40334" />
+  <D value="-0.00068536" />
+  <E value="2.7995E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.782" />
+  <B value="2690.4" />
+  <C value="-32.326" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="439.31" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-3.3309" />
+  <B value="-0.018831" />
+  <C value="0.00001104" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="322.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.366863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.326557E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.0381" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.0743" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0475" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.65323" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.23385" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133712" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4983" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006195" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.31834" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.23385" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13771.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133712" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-83-2" />
+<Smiles name="SMILES"  value="CC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="15" />
+<CompoundID name="Name"  value="2,3-dimethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH(CH3)2" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3576" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="145.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="145.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0152127" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13117" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.636E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.62E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.768E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3125000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="365920" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="799100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85804" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.84761E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.428" />
+  <B value="-0.008415" />
+  <Tmin units="K"  value="58.08" />
+  <Tmax units="K"  value="145.19" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67999" />
+  <B value="0.25932" />
+  <C value="500.01" />
+  <D value="0.25836" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="500" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="76.80058" />
+  <B value="-5679.218" />
+  <C value="-8.443302" />
+  <D value="7.93783E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="500" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.7443E+07" />
+  <B value="0.91932" />
+  <C value="-0.91329" />
+  <D value="0.50392" />
+  <E value="-0.089442" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="481.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21392" />
+  <B value="2002.6" />
+  <C value="-18.844" />
+  <D value="0.11065" />
+  <E value="-0.00021726" />
+  <Tmin units="K"  value="17.2" />
+  <Tmax units="K"  value="136.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126350" />
+  <B value="-53.429" />
+  <C value="8.8794" />
+  <D value="0.010279" />
+  <E value="-0.0000080841" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="46722" />
+  <B value="-391.59" />
+  <C value="12.599" />
+  <D value="0.00056088" />
+  <E value="-1.7583E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20289" />
+  <B value="-208.43" />
+  <C value="-28.236" />
+  <D value="-12822" />
+  <E value="38509" />
+  <Tmin units="K"  value="295.95" />
+  <Tmax units="K"  value="1999.72" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="6.9204" />
+  <B value="231.1" />
+  <C value="-2.7393" />
+  <D value="-1.3079E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.8449E-07" />
+  <B value="0.52371" />
+  <C value="291.92" />
+  <D value="-3199.1" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.05308" />
+  <B value="-5.5491" />
+  <C value="-1.4118" />
+  <D value="-0.0011735" />
+  <E value="-7.4229E-07" />
+  <Tmin units="K"  value="140" />
+  <Tmax units="K"  value="331.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000032078" />
+  <B value="1.1749" />
+  <C value="-107.52" />
+  <D value="129270" />
+  <Tmin units="K"  value="331.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013057" />
+  <B value="15.542" />
+  <C value="-3.0183" />
+  <D value="-0.0004395" />
+  <E value="-0.0000046347" />
+  <Tmin units="K"  value="145.19" />
+  <Tmax units="K"  value="481.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18408" />
+  <B value="618.2" />
+  <C value="-0.30739" />
+  <D value="0.000022699" />
+  <E value="2.5609E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.905" />
+  <B value="2797" />
+  <C value="-32.946" />
+  <Tmin units="K"  value="300.4" />
+  <Tmax units="K"  value="443.98" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.7621" />
+  <B value="-0.029455" />
+  <C value="0.000029461" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="331.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.361" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.40238E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.0044" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2694" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.02497" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0473" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.665168" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2477" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13105" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4982" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.848" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004579" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.01856" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.24754" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14352.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13105" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-29-8" />
+<Smiles name="SMILES"  value="CC(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="11" />
+<CompoundID name="Name"  value="N-hexane" />
+<StructureFormula name="Structure"  value="CH3(CH2)4CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3025000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.88" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.901695" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13159" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.769E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06826" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.64E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6694E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-66340" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="388740" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.308E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93264" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.8551E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.657" />
+  <B value="-0.004653" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="177.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55661" />
+  <B value="0.23506" />
+  <C value="507.6" />
+  <D value="0.24183" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="507.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.56625" />
+  <B value="-5848.968" />
+  <C value="-7.46028" />
+  <D value="0.0000050823" />
+  <E value="2" />
+  <Tmin units="K"  value="174.15" />
+  <Tmax units="K"  value="507.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.086241E+07" />
+  <B value="-1.014854" />
+  <C value="4.97802" />
+  <D value="-6.266175" />
+  <E value="2.685532" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="493.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24158" />
+  <B value="1979.3" />
+  <C value="-14.888" />
+  <D value="0.068541" />
+  <E value="-0.0001167" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="177.86" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="155690" />
+  <B value="5.9137" />
+  <C value="7.3123" />
+  <D value="0.013809" />
+  <E value="-0.0000093814" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94649" />
+  <B value="-698.41" />
+  <C value="13.164" />
+  <D value="-0.00011992" />
+  <E value="2.9719E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25955" />
+  <B value="-274.01" />
+  <C value="-26.704" />
+  <D value="-1514.2" />
+  <E value="-624.88" />
+  <Tmin units="K"  value="184" />
+  <Tmax units="K"  value="1775.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-62.582" />
+  <B value="2308.7" />
+  <C value="8.5085" />
+  <D value="-0.000019741" />
+  <E value="2" />
+  <Tmin units="K"  value="174.65" />
+  <Tmax units="K"  value="406.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3843E-07" />
+  <B value="0.62082" />
+  <C value="239.17" />
+  <D value="-260.6" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12682" />
+  <B value="-1.5015" />
+  <C value="-1.0467" />
+  <D value="-0.00088709" />
+  <E value="-9.3679E-07" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="370" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-569.52" />
+  <B value="0.7943" />
+  <C value="-1.1379E+09" />
+  <D value="-8.2055E+09" />
+  <Tmin units="K"  value="339.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.10385" />
+  <B value="-14.131" />
+  <C value="-1.6676" />
+  <D value="-0.0015618" />
+  <E value="8.4369E-07" />
+  <Tmin units="K"  value="177.83" />
+  <Tmax units="K"  value="493.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="73425" />
+  <B value="-1.3802" />
+  <C value="1.1891" />
+  <D value="-0.0015227" />
+  <E value="5.9232E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.746" />
+  <B value="2711.8" />
+  <C value="-47.914" />
+  <Tmin units="K"  value="304.74" />
+  <Tmax units="K"  value="455.53" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.4168" />
+  <B value="-0.034217" />
+  <C value="0.000039014" />
+  <Tmin units="K"  value="174.65" />
+  <Tmax units="K"  value="406.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3682" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.611036E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.2893" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2635" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.662664" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3007" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.131306" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4998" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.856" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.856" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.007459" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2927" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14870.79" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1316" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-54-3" />
+<Smiles name="SMILES"  value="CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="12" />
+<CompoundID name="Name"  value="2-methylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CH(CH3)2" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3010000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3667" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="333.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="119.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="119.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000206558" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13289" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.278" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.784E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.7455E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5338000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6268000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95879" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.84915E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.67" />
+  <B value="-0.010749" />
+  <Tmin units="K"  value="47.82" />
+  <Tmax units="K"  value="119.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.657" />
+  <B value="0.25467" />
+  <C value="497.71" />
+  <D value="0.26808" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="497.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="77.6873" />
+  <B value="-5802.911" />
+  <C value="-8.543267" />
+  <D value="7.871718E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="497.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.724E+07" />
+  <B value="0.784961" />
+  <C value="-0.571271" />
+  <D value="0.114935" />
+  <E value="0.0796185" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="477.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16692" />
+  <B value="1658.2" />
+  <C value="-10.279" />
+  <D value="0.040384" />
+  <E value="-0.000049521" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="119.53" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137510" />
+  <B value="-55.266" />
+  <C value="8.2006" />
+  <D value="0.013273" />
+  <E value="-0.00001165" />
+  <Tmin units="K"  value="103.56" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70761" />
+  <B value="-504.8" />
+  <C value="12.795" />
+  <D value="0.00029839" />
+  <E value="-9.4564E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20379" />
+  <B value="-202.65" />
+  <C value="-31.838" />
+  <D value="492.86" />
+  <E value="-3834.6" />
+  <Tmin units="K"  value="248.73" />
+  <Tmax units="K"  value="1989.8" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.416" />
+  <B value="938.41" />
+  <C value="0.18259" />
+  <D value="4.2586E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020458" />
+  <B value="0.38326" />
+  <C value="542.64" />
+  <D value="-1147.6" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.099248" />
+  <B value="3.6931" />
+  <C value="-1.2881" />
+  <D value="-0.00063949" />
+  <E value="-0.0000011122" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="389.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056887" />
+  <B value="1.0953" />
+  <C value="-66.761" />
+  <D value="139530" />
+  <Tmin units="K"  value="333.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015522" />
+  <B value="7.9529" />
+  <C value="-2.8734" />
+  <D value="-0.0008781" />
+  <E value="-0.0000036183" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="477.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="17427" />
+  <B value="385.95" />
+  <C value="0.25974" />
+  <D value="-0.0005678" />
+  <E value="2.4129E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.737" />
+  <B value="2653.5" />
+  <C value="-45.343" />
+  <Tmin units="K"  value="298.67" />
+  <Tmax units="K"  value="437.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.1171" />
+  <B value="-0.062164" />
+  <C value="0.00009219" />
+  <Tmin units="K"  value="119.55" />
+  <Tmax units="K"  value="333.41" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3677" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.51431E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.9927" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2581" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45339" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.656507" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2791" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132931" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.499" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.852" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003898" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.85782" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2791" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14417.6" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132931" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-83-5" />
+<Smiles name="SMILES"  value="CC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="13" />
+<CompoundID name="Name"  value="3-methylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="504.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3120000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3667" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="336.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="110.251" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="110.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.13745E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13062" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.273" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.695E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.72E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3420000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="383000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5303200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0567" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.85137E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.818" />
+  <B value="-0.011634" />
+  <Tmin units="K"  value="44.1" />
+  <Tmax units="K"  value="110.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.64191" />
+  <B value="0.2518" />
+  <C value="504.61" />
+  <D value="0.25114" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="504.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.3869" />
+  <B value="-6792.289" />
+  <C value="-12.56583" />
+  <D value="0.0000127267" />
+  <E value="2" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="504.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.261039E+07" />
+  <B value="1.021512" />
+  <C value="-0.656827" />
+  <D value="-0.222599" />
+  <E value="0.294618" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="483.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16129" />
+  <B value="1666.4" />
+  <C value="-9.7944" />
+  <D value="0.031943" />
+  <E value="-0.0000041663" />
+  <Tmin units="K"  value="15.63" />
+  <Tmax units="K"  value="110.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124870" />
+  <B value="37.47" />
+  <C value="8.4986" />
+  <D value="0.010489" />
+  <E value="-0.0000074005" />
+  <Tmin units="K"  value="79.81" />
+  <Tmax units="K"  value="336.43" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66323" />
+  <B value="-479.35" />
+  <C value="12.713" />
+  <D value="0.00041058" />
+  <E value="-1.3725E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2197" />
+  <B value="-311.6" />
+  <C value="-21.56" />
+  <D value="108.65" />
+  <E value="-1264.8" />
+  <Tmin units="K"  value="252.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-4.4466" />
+  <B value="561.39" />
+  <C value="-0.97496" />
+  <D value="-4.1525E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="336.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014857" />
+  <B value="0.42502" />
+  <C value="455.77" />
+  <D value="119.73" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.013685" />
+  <B value="32.912" />
+  <C value="-2.24" />
+  <D value="0.00097964" />
+  <E value="-0.0000056292" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="402" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000050178" />
+  <B value="1.1143" />
+  <C value="-67.556" />
+  <D value="138050" />
+  <Tmin units="K"  value="336.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013421" />
+  <B value="7.9798" />
+  <C value="-2.865" />
+  <D value="-0.00092552" />
+  <E value="-0.0000040501" />
+  <Tmin units="K"  value="110.25" />
+  <Tmax units="K"  value="483.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3600.2" />
+  <B value="92.648" />
+  <C value="0.060696" />
+  <D value="-0.00013403" />
+  <E value="5.737E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.831" />
+  <B value="2755" />
+  <C value="-40.41" />
+  <Tmin units="K"  value="304.91" />
+  <Tmax units="K"  value="442.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.2793" />
+  <B value="-0.02952" />
+  <C value="0.00003287" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="336.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36333" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.342884E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="307.5203" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2575" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.74" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.3701" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0473" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.667684" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2741" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130633" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.499" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.852" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7417" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.275" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14871.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130633" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="96-14-0" />
+<Smiles name="SMILES"  value="CCC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1203" />
+<CompoundID name="Name"  value="Triethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2CH2OCH2CH2OCH2CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="769.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.443" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="561.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="265.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="265.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000327262" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="150.173" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134127" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.755952" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.71E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08486" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.22E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.251E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.86E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="556500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.82E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.6" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.2498E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6467" />
+  <B value="-0.0040367" />
+  <Tmin units="K"  value="106.38" />
+  <Tmax units="K"  value="265.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60697" />
+  <B value="0.26444" />
+  <C value="769.5" />
+  <D value="0.24805" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-148.0973" />
+  <B value="-1446.895" />
+  <C value="26.95817" />
+  <D value="-0.0000266538" />
+  <E value="2" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.392895E+08" />
+  <B value="1.422819" />
+  <C value="-1.625802" />
+  <D value="1.207667" />
+  <E value="-0.563316" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="769.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7555" />
+  <B value="958.48" />
+  <C value="-1.8743" />
+  <D value="0.0048051" />
+  <E value="-0.0000054467" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="265.95" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="234210" />
+  <B value="-89.741" />
+  <C value="10.328" />
+  <D value="0.0058089" />
+  <E value="-0.0000030565" />
+  <Tmin units="K"  value="265.79" />
+  <Tmax units="K"  value="666.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88442" />
+  <B value="-417.2" />
+  <C value="12.845" />
+  <D value="0.00037163" />
+  <E value="-1.3999E-07" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26304" />
+  <B value="-239.99" />
+  <C value="-308.91" />
+  <D value="-754640" />
+  <E value="1516300" />
+  <Tmin units="K"  value="384.75" />
+  <Tmax units="K"  value="1950" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-354.9911" />
+  <B value="16471.68" />
+  <C value="54.55389" />
+  <D value="-0.0481353" />
+  <E value="1" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="615.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.2508E-08" />
+  <B value="0.8077" />
+  <C value="134.01" />
+  <D value="-6653.4" />
+  <Tmin units="K"  value="265.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.089806" />
+  <B value="0.43077" />
+  <C value="-1.6802" />
+  <D value="0.0024003" />
+  <E value="-0.0000033612" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="666.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000048035" />
+  <B value="1.4025" />
+  <C value="164.43" />
+  <D value="15114" />
+  <Tmin units="K"  value="199.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.053881" />
+  <B value="-24.705" />
+  <C value="-1.9439" />
+  <D value="-0.00084717" />
+  <E value="-3.9189E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="548.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14259" />
+  <B value="713.43" />
+  <C value="-0.4134" />
+  <D value="0.000089194" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.58412" />
+  <B value="-10424.37" />
+  <C value="-5.193019" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="769" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.583" />
+  <B value="3555.2" />
+  <C value="-168.11" />
+  <Tmin units="K"  value="463.15" />
+  <Tmax units="K"  value="689.99" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="12.563" />
+  <B value="-0.071122" />
+  <C value="0.000060989" />
+  <Tmin units="K"  value="265.95" />
+  <Tmax units="K"  value="615.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.463689" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.297988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.1291" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.224225" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0853" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.12845" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.758714" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134187" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5342" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.758714" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23437.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134187" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="26"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="28"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="21"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="26"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="25"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-27-6" />
+<Smiles name="SMILES"  value="OCCOCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1706" />
+<CompoundID name="Name"  value="Triethylamine" />
+<StructureFormula name="Structure"  value="(C2H5)3N" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.39" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0106462" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="101.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13996" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.316193" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.73E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15170" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07603" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.064E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.141E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="405400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8520000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0865" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.0405E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.511" />
+  <B value="-0.0073745" />
+  <Tmin units="K"  value="63.38" />
+  <Tmax units="K"  value="158.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74443" />
+  <B value="0.28147" />
+  <C value="535" />
+  <D value="0.29639" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.5632" />
+  <B value="-7670.939" />
+  <C value="-13.23524" />
+  <D value="8.526035E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="535.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6361E+07" />
+  <B value="1.8179" />
+  <C value="-4.3508" />
+  <D value="5.0206" />
+  <E value="-2.0828" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197480" />
+  <Tmin units="K"  value="293" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-68176" />
+  <B value="-83.963" />
+  <C value="12.887" />
+  <D value="-0.00053012" />
+  <E value="0.0000014554" />
+  <Tmin units="K"  value="172.06" />
+  <Tmax units="K"  value="362.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118700" />
+  <B value="-798.83" />
+  <C value="13.439" />
+  <D value="-0.00026576" />
+  <E value="5.0253E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23952" />
+  <B value="-295.39" />
+  <C value="-29.513" />
+  <D value="-868.33" />
+  <E value="-1051.4" />
+  <Tmin units="K"  value="267.5" />
+  <Tmax units="K"  value="1872.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.1405" />
+  <B value="722.62" />
+  <C value="-0.37234" />
+  <D value="-0.0000014417" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="359.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6298E-07" />
+  <B value="0.63337" />
+  <C value="296.37" />
+  <D value="-2057.9" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.073124" />
+  <B value="-11.318" />
+  <C value="-1.1721" />
+  <D value="-0.001404" />
+  <E value="-1.7908E-07" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013191" />
+  <B value="0.98598" />
+  <C value="87.622" />
+  <D value="150050" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013624" />
+  <B value="18.483" />
+  <C value="-2.9718" />
+  <D value="-0.00033783" />
+  <E value="-0.0000042148" />
+  <Tmin units="K"  value="158.45" />
+  <Tmax units="K"  value="515.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="38089" />
+  <B value="333.32" />
+  <C value="0.48166" />
+  <D value="-0.00083411" />
+  <E value="3.4863E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.736" />
+  <B value="2807.5" />
+  <C value="-56.935" />
+  <Tmin units="K"  value="321.01" />
+  <Tmax units="K"  value="475.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-2.4562" />
+  <B value="-0.026558" />
+  <C value="0.000027095" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="359.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.40259" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.771002E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="285.1725" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262814" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="134.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.90597" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0526" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.73294" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31959" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139672" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.01" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.26" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316157" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15176.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139672" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="121-44-8" />
+<Smiles name="SMILES"  value="CCN(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="502" />
+<CompoundID name="Name"  value="Toluene" />
+<StructureFormula name="Structure"  value="(C6H5)CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.75" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4108000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.316" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="383.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0475285" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10687" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.264" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.472E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05951" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.42E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.017E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.222E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="320990" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6636000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94689" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.734E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8605" />
+  <B value="0.013514" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="178.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89799" />
+  <B value="0.27359" />
+  <C value="591.75" />
+  <D value="0.30006" />
+  <Tmin units="K"  value="163.1" />
+  <Tmax units="K"  value="589.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="32.89891" />
+  <B value="-5013.81" />
+  <C value="-1.348918" />
+  <D value="-1.869928E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="592.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3752E+07" />
+  <B value="0.50341" />
+  <C value="0.24755" />
+  <D value="-0.72898" />
+  <E value="0.37794" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="569.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13924" />
+  <B value="1776.9" />
+  <C value="-16.369" />
+  <D value="0.074493" />
+  <E value="-0.00011377" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="178.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28291" />
+  <B value="48.171" />
+  <C value="10.912" />
+  <D value="0.0020542" />
+  <E value="8.7875E-07" />
+  <Tmin units="K"  value="178.1" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47225" />
+  <B value="-565.85" />
+  <C value="12.856" />
+  <D value="0.000005535" />
+  <E value="-1.998E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18928" />
+  <B value="-219.15" />
+  <C value="-45.645" />
+  <D value="1631.9" />
+  <E value="-13947" />
+  <Tmin units="K"  value="254" />
+  <Tmax units="K"  value="1775" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-152.84" />
+  <B value="5644.6" />
+  <C value="22.826" />
+  <D value="-0.000040987" />
+  <E value="2" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="383.78" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5581E-07" />
+  <B value="0.49514" />
+  <C value="307.82" />
+  <D value="1891.6" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.072922" />
+  <B value="-23.153" />
+  <C value="-1.0277" />
+  <D value="-0.0017074" />
+  <E value="3.6787E-07" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="474.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000006541" />
+  <B value="1.4227" />
+  <C value="190.97" />
+  <D value="21890" />
+  <Tmin units="K"  value="383.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014261" />
+  <B value="19.666" />
+  <C value="-2.7922" />
+  <D value="-0.00035188" />
+  <E value="-0.0000037637" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="569.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-43647.49" />
+  <B value="603.542" />
+  <C value="-0.399451" />
+  <D value="0.000104382" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.864" />
+  <B value="3019.2" />
+  <C value="-60.13" />
+  <Tmin units="K"  value="355.37" />
+  <Tmax units="K"  value="526.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="4.3267" />
+  <B value="-0.064947" />
+  <C value="0.000084431" />
+  <Tmin units="K"  value="178.18" />
+  <Tmax units="K"  value="383.78" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31369" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.283707E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.761" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2646" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.48" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58961" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0435" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.870044" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2651" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10685" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9228" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.968" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="2.968" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005125" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2132" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2591" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18245.86" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1068" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-88-3" />
+<Smiles name="SMILES"  value="c1ccccc1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1183" />
+<CompoundID name="Name"  value="M-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="705.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.241" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="475.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="285.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="285.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5.86242" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10499" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.452" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.87E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.323E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.019E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="356040" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0707E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16481" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52783E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="1.0425" />
+  <B value="0.033348" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="285.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76595" />
+  <B value="0.25907" />
+  <C value="705.86" />
+  <D value="0.2605" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.16" />
+  <B value="-12586" />
+  <C value="-17.327" />
+  <D value="0.0000073113" />
+  <E value="2" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.4557E+07" />
+  <B value="0.36419" />
+  <C value="1.602" />
+  <D value="-2.5634" />
+  <E value="1.0947" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="705.85" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8624" />
+  <B value="1322.8" />
+  <C value="-8.6572" />
+  <D value="0.031074" />
+  <E value="-0.000035842" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="285.39" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62676" />
+  <B value="-205.39" />
+  <C value="12.221" />
+  <D value="0.0027125" />
+  <E value="-0.0000038975" />
+  <Tmin units="K"  value="283" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58129" />
+  <B value="-537.86" />
+  <C value="12.936" />
+  <D value="-0.000090368" />
+  <E value="1.797E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18861" />
+  <B value="-374.13" />
+  <C value="-74.545" />
+  <D value="-19672" />
+  <E value="24912" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-1098.989" />
+  <B value="45628.63" />
+  <C value="168.1502" />
+  <D value="-0.000185183" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="564.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4432E-07" />
+  <B value="0.74376" />
+  <C value="166.32" />
+  <D value="-45.138" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10478" />
+  <B value="-476.78" />
+  <C value="0.8844" />
+  <D value="-0.0090128" />
+  <E value="0.0000031516" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="475.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016795" />
+  <B value="0.9362" />
+  <C value="585.89" />
+  <D value="24552" />
+  <Tmin units="K"  value="475.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.037429" />
+  <B value="67.939" />
+  <C value="-2.7738" />
+  <D value="0.00028133" />
+  <E value="-0.0000016386" />
+  <Tmin units="K"  value="285.39" />
+  <Tmax units="K"  value="683.72" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23954" />
+  <B value="227.87" />
+  <C value="0.66042" />
+  <D value="-0.0011161" />
+  <E value="4.8581E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.829242" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.349" />
+  <B value="3668.1" />
+  <C value="-101.91" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="635" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.702" />
+  <B value="-0.065218" />
+  <C value="0.000050873" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="564.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.342" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.980332E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.6595" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.241" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.28602" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0461" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03693" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.45399" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104996" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.33197" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.45" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24080.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104996" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-39-4" />
+<Smiles name="SMILES"  value="c1(O)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1182" />
+<CompoundID name="Name"  value="O-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="697.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.282" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="464.17" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="304.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="304.19" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="65.3261" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10364" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.435" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2857E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.543E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352590" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.582E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2881" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.5708" />
+  <B value="0.019375" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1115" />
+  <B value="0.30952" />
+  <C value="697.6" />
+  <D value="0.31161" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="676.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="140.51" />
+  <B value="-11819" />
+  <C value="-17.163" />
+  <D value="0.0000087043" />
+  <E value="2" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="697.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9721E+07" />
+  <B value="1.0333" />
+  <C value="0.08043" />
+  <D value="-1.2193" />
+  <E value="0.58124" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="697.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8031.4" />
+  <B value="1109.1" />
+  <C value="-6.0897" />
+  <D value="0.022423" />
+  <E value="-0.000027975" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="304.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146600" />
+  <B value="-116.23" />
+  <C value="11.009" />
+  <D value="0.0034596" />
+  <E value="-0.0000033446" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64367" />
+  <B value="-535.92" />
+  <C value="12.871" />
+  <D value="-0.000033383" />
+  <E value="-2.2759E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19264" />
+  <B value="-372.93" />
+  <C value="-69.055" />
+  <D value="-19860" />
+  <E value="28563" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-455.0775" />
+  <B value="20670.83" />
+  <C value="67.87773" />
+  <D value="-0.0000660983" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="558.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.7371E-08" />
+  <B value="0.80775" />
+  <C value="98.538" />
+  <D value="-0.0034513" />
+  <Tmin units="K"  value="304.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.065471" />
+  <B value="92.351" />
+  <C value="-2.8415" />
+  <D value="0.0012245" />
+  <E value="-0.0000029956" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="464.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018648" />
+  <B value="0.9302" />
+  <C value="709.37" />
+  <D value="-0.0036596" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094371" />
+  <B value="291.18" />
+  <C value="-4.9944" />
+  <D value="0.0057186" />
+  <E value="-0.0000083653" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="697.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23912" />
+  <B value="217.36" />
+  <C value="0.71039" />
+  <D value="-0.0011838" />
+  <E value="5.1458E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-10.30921" />
+  <B value="-5750" />
+  <C value="-34.5" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.629" />
+  <B value="3891.6" />
+  <C value="-79.086" />
+  <Tmin units="K"  value="419.41" />
+  <Tmax units="K"  value="625" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="8.2341" />
+  <B value="-0.06124" />
+  <C value="0.000056109" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="558.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.33928" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.682421E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.7063" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4627" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0458" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03606" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.43299" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104368" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.2512" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.433455" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23397.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104368" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-48-7" />
+<Smiles name="SMILES"  value="c1(O)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1184" />
+<CompoundID name="Name"  value="P-cresol" />
+<StructureFormula name="Structure"  value="CH3(C6H4)OH" />
+<Family name="Family"  value="48" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="704.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.277" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="475.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="307.93" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="307.93" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="34.4658" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.14" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.105" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.51" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.762E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24030" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06503" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.2535E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.166E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350750" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2707E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.5401" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52256E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.671" />
+  <B value="2.0813E-16" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.94818" />
+  <B value="0.2877" />
+  <C value="704.66" />
+  <D value="0.2873" />
+  <Tmin units="K"  value="307.89" />
+  <Tmax units="K"  value="704.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="236.9207" />
+  <B value="-17215.31" />
+  <C value="-31.28645" />
+  <D value="0.0000163766" />
+  <E value="2" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="704.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3617E+08" />
+  <B value="1.404" />
+  <C value="0.8091" />
+  <D value="-3.6055" />
+  <E value="2.0268" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="704.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8780.1" />
+  <B value="1223.4" />
+  <C value="-7.2115" />
+  <D value="0.025844" />
+  <E value="-0.000031593" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="307.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142400" />
+  <B value="625.27" />
+  <C value="3.2944" />
+  <D value="0.02818" />
+  <E value="-0.000027958" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58748" />
+  <B value="-529.02" />
+  <C value="12.887" />
+  <D value="-0.0000351" />
+  <E value="-1.6131E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19347" />
+  <B value="-378.82" />
+  <C value="-72.032" />
+  <D value="-21261" />
+  <E value="30195" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-820.7853" />
+  <B value="35522.87" />
+  <C value="124.3969" />
+  <D value="-0.000127538" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="563.72" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4308E-07" />
+  <B value="0.74508" />
+  <C value="159.9" />
+  <D value="-24.834" />
+  <Tmin units="K"  value="307.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061771" />
+  <B value="-123.88" />
+  <C value="-1.1823" />
+  <D value="-0.0033339" />
+  <E value="0.0000010151" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="475.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016735" />
+  <B value="0.93839" />
+  <C value="592.49" />
+  <D value="25704" />
+  <Tmin units="K"  value="475.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.051662" />
+  <B value="10.481" />
+  <C value="-2.2269" />
+  <D value="-0.00060182" />
+  <E value="-6.5093E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="683.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37249.74" />
+  <B value="691.7826" />
+  <C value="-0.559108" />
+  <D value="0.000190677" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.853943" />
+  <B value="-2500" />
+  <C value="-15" />
+  <Tmin units="K"  value="249.7056" />
+  <Tmax units="K"  value="419.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.566" />
+  <B value="3833.1" />
+  <C value="-93.483" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="633.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="11.503" />
+  <B value="-0.069766" />
+  <C value="0.000057848" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="563.72" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34907" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.610035E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.6801" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.0397" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0463" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.03031" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.50498" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.104957" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7567" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.888" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.2058" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.508" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23827.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.104957" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-44-5" />
+<Smiles name="SMILES"  value="c1(O)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="138" />
+<CompoundID name="Name"  value="Methylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="572.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3471000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="146.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="146.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000152251" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12835" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.235" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.643E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07046" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.548E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.733E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6751000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.25714E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.429" />
+  <B value="-0.0085395" />
+  <Tmin units="K"  value="58.63" />
+  <Tmax units="K"  value="146.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54994" />
+  <B value="0.23476" />
+  <C value="572.19" />
+  <D value="0.25237" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.02524" />
+  <B value="-6720.084" />
+  <C value="-9.367446" />
+  <D value="6.892527E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3741E+07" />
+  <B value="0.65698" />
+  <C value="0.0050875" />
+  <D value="-0.53082" />
+  <E value="0.29149" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13069" />
+  <B value="1384.8" />
+  <C value="-9.1718" />
+  <D value="0.036062" />
+  <E value="-0.000031442" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="146.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121540" />
+  <B value="-7.0302" />
+  <C value="8.197" />
+  <D value="0.012761" />
+  <E value="-0.000010388" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82902" />
+  <B value="-804.58" />
+  <C value="13.697" />
+  <D value="-0.00042977" />
+  <E value="1.1051E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20875" />
+  <B value="-247.9" />
+  <C value="-33.881" />
+  <D value="-2750.8" />
+  <E value="4328.8" />
+  <Tmin units="K"  value="286" />
+  <Tmax units="K"  value="1828" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.411" />
+  <B value="1214.3" />
+  <C value="0.0090457" />
+  <D value="-0.0000000327" />
+  <E value="2" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="457.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.5256E-07" />
+  <B value="0.52942" />
+  <C value="310.39" />
+  <D value="23.825" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.035771" />
+  <B value="-249.64" />
+  <C value="0.10904" />
+  <D value="-0.0066567" />
+  <E value="0.0000013937" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="374.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074754" />
+  <B value="1.119" />
+  <C value="613.15" />
+  <D value="22882" />
+  <Tmin units="K"  value="374.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0071052" />
+  <B value="37.192" />
+  <C value="-3.2268" />
+  <D value="0.0007377" />
+  <E value="-0.0000068537" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="572.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="26174" />
+  <B value="153.3" />
+  <C value="1.1328" />
+  <D value="-0.0015625" />
+  <E value="6.1228E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.844" />
+  <B value="3088.6" />
+  <C value="-42.601" />
+  <Tmin units="K"  value="344.14" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.6248" />
+  <B value="-0.050338" />
+  <C value="0.000057219" />
+  <Tmin units="K"  value="146.58" />
+  <Tmax units="K"  value="457.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3709" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.492807E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.3914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2699" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.82199" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0497" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.772427" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12834" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.776" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000172" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.8218" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2421" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16016.26" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1283" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-87-2" />
+<Smiles name="SMILES"  value="C1CCCCC1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="107" />
+<CompoundID name="Name"  value="Ethylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="569.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3397000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.375" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="376.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.71" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.71" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.71437E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12883" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.27" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.734E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0704" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.269E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.48E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="378300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6869700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92806" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2839E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.431" />
+  <B value="-0.0092953" />
+  <Tmin units="K"  value="53.88" />
+  <Tmax units="K"  value="134.71" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72259" />
+  <B value="0.26996" />
+  <C value="569.5" />
+  <D value="0.2784" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.769" />
+  <B value="-7366.4" />
+  <C value="-11.099" />
+  <D value="0.0000081014" />
+  <E value="2" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="569.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.78221E+07" />
+  <B value="0.856257" />
+  <C value="-0.338119" />
+  <D value="-0.391894" />
+  <E value="0.299953" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12482" />
+  <B value="1503.5" />
+  <C value="-7.4405" />
+  <D value="0.0091338" />
+  <E value="0.000058554" />
+  <Tmin units="K"  value="12.14" />
+  <Tmax units="K"  value="126.86" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128880" />
+  <B value="403.43" />
+  <C value="3.1567" />
+  <D value="0.031507" />
+  <E value="-0.000033176" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="301.82" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61352" />
+  <B value="-623.48" />
+  <C value="13.275" />
+  <D value="-0.000068613" />
+  <E value="9.3089E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21463" />
+  <B value="-224.87" />
+  <C value="-41.025" />
+  <D value="-7128.8" />
+  <E value="10923" />
+  <Tmin units="K"  value="284.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.6105" />
+  <B value="709.69" />
+  <C value="-1.12" />
+  <D value="8.8328E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="378.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000021783" />
+  <B value="0.38064" />
+  <C value="577.64" />
+  <D value="269.9" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.019932" />
+  <B value="6.51" />
+  <C value="-1.7114" />
+  <D value="-0.0004148" />
+  <E value="-0.0000019629" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="376.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0047981" />
+  <B value="0.52948" />
+  <C value="335.74" />
+  <D value="590020" />
+  <Tmin units="K"  value="376.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016425" />
+  <B value="10.598" />
+  <C value="-2.7862" />
+  <D value="-0.00069695" />
+  <E value="-0.0000029932" />
+  <Tmin units="K"  value="134.71" />
+  <Tmax units="K"  value="546.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="48615" />
+  <B value="-0.39909" />
+  <C value="1.4556" />
+  <D value="-0.0018703" />
+  <E value="0.0000007197" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3131.9" />
+  <C value="-44.732" />
+  <Tmin units="K"  value="343.06" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.4246" />
+  <B value="-0.029561" />
+  <C value="0.000030457" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="378.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.374" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.504581E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="329.2419" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.33548" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0503" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.769565" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2689" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.128749" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.72" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.69675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.271548" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16339.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.128749" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1640-89-7" />
+<Smiles name="SMILES"  value="C1(CC)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="234" />
+<CompoundID name="Name"  value="1-heptene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)4CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="537.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.409" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="366.79" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00186" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14177" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.343" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.083E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.046E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.289E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.482E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.264E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0461" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3499E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.448" />
+  <B value="-0.0076501" />
+  <Tmin units="K"  value="61.65" />
+  <Tmax units="K"  value="154.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26107" />
+  <B value="0.16952" />
+  <C value="537.3" />
+  <D value="0.1874" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="536.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.9184" />
+  <B value="-7605.67" />
+  <C value="-13.43227" />
+  <D value="0.0000123163" />
+  <E value="2" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="537.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.631368E+07" />
+  <B value="1.145386" />
+  <C value="-1.731438" />
+  <D value="1.615943" />
+  <E value="-0.650835" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="517.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5969.6" />
+  <B value="597.62" />
+  <C value="18.112" />
+  <D value="-0.2191" />
+  <E value="0.0007294" />
+  <Tmin units="K"  value="11.4" />
+  <Tmax units="K"  value="142.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58419" />
+  <B value="89.259" />
+  <C value="10.549" />
+  <D value="0.0039271" />
+  <E value="-8.6181E-07" />
+  <Tmin units="K"  value="151.79" />
+  <Tmax units="K"  value="430" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94067" />
+  <B value="-609.56" />
+  <C value="13.043" />
+  <D value="0.000046316" />
+  <E value="-2.1105E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20796" />
+  <B value="-241.14" />
+  <C value="-48.774" />
+  <D value="3433.8" />
+  <E value="-14358" />
+  <Tmin units="K"  value="255" />
+  <Tmax units="K"  value="1880.3" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.29" />
+  <B value="827.04" />
+  <C value="-0.087144" />
+  <D value="0.0000001052" />
+  <E value="2" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="429.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.4687E-08" />
+  <B value="0.81173" />
+  <C value="52.725" />
+  <D value="1460.7" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038053" />
+  <B value="-34.158" />
+  <C value="-1.0057" />
+  <D value="-0.0023353" />
+  <E value="-3.7702E-08" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000013676" />
+  <B value="1.341" />
+  <C value="365.19" />
+  <D value="6251.8" />
+  <Tmin units="K"  value="366.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010568" />
+  <B value="24.026" />
+  <C value="-3.0595" />
+  <D value="-0.0001793" />
+  <E value="-0.0000051634" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="517.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="62525" />
+  <B value="106.62" />
+  <C value="1.0534" />
+  <D value="-0.0014615" />
+  <E value="5.8492E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.78" />
+  <B value="2900.8" />
+  <C value="-53.334" />
+  <Tmin units="K"  value="324.12" />
+  <Tmax units="K"  value="476.88" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.0377" />
+  <B value="-0.035732" />
+  <C value="0.000041467" />
+  <Tmin units="K"  value="154.12" />
+  <Tmax units="K"  value="429.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.405616" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.755735E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="302.3922" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.260462" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.60949" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0531" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.70084" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141709" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.9441" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.184" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006221" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2762" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15313.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141709" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-76-7" />
+<Smiles name="SMILES"  value="C=CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="17" />
+<CompoundID name="Name"  value="N-heptane" />
+<StructureFormula name="Structure"  value="CH3(CH2)5CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="371.57" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.57" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.182694" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14747" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.35" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.173E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07849" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.099E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8165000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427980" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.405E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00313" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.46473E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1435" />
+  <B value="-0.0028756" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="182.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57043" />
+  <B value="0.25304" />
+  <C value="540.2" />
+  <D value="0.27335" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.80457" />
+  <B value="-7084.845" />
+  <C value="-10.17918" />
+  <D value="7.441708E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.275764E+07" />
+  <B value="-1.051245" />
+  <C value="4.601706" />
+  <D value="-5.558946" />
+  <E value="2.369496" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20510" />
+  <B value="1728.5" />
+  <C value="-6.4728" />
+  <D value="-0.0018307" />
+  <E value="0.000070938" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="182.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134750" />
+  <B value="14.937" />
+  <C value="10.603" />
+  <D value="0.001438" />
+  <E value="0.0000036711" />
+  <Tmin units="K"  value="182.55" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109310" />
+  <B value="-704.2" />
+  <C value="13.352" />
+  <D value="-0.00017922" />
+  <E value="4.6992E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23983" />
+  <B value="-244.66" />
+  <C value="-54.176" />
+  <D value="2830.8" />
+  <E value="-15702" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-61.08861" />
+  <B value="2532.297" />
+  <C value="8.091665" />
+  <D value="-0.0000152585" />
+  <E value="2" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="432.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.6134E-08" />
+  <B value="0.948" />
+  <C value="-37.497" />
+  <D value="9005.3" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.083657" />
+  <B value="49.111" />
+  <C value="-3.4536" />
+  <D value="0.0077989" />
+  <E value="-0.000025112" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.076333" />
+  <B value="0.38025" />
+  <C value="-7539.9" />
+  <D value="-2646800" />
+  <Tmin units="K"  value="339.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007741" />
+  <B value="65.405" />
+  <C value="-3.6478" />
+  <D value="0.001894" />
+  <E value="-0.0000081692" />
+  <Tmin units="K"  value="182.57" />
+  <Tmax units="K"  value="540.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="80102" />
+  <B value="34.555" />
+  <C value="1.2882" />
+  <D value="-0.0016684" />
+  <E value="6.4603E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.995" />
+  <B value="3044.2" />
+  <C value="-50.149" />
+  <Tmin units="K"  value="324.35" />
+  <Tmax units="K"  value="483.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.018303" />
+  <B value="-0.039206" />
+  <C value="0.000043234" />
+  <Tmin units="K"  value="180.15" />
+  <Tmax units="K"  value="432.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.43044" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.048406E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="280.139" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2611" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0549" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.686815" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35069" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147014" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1742" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003031" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3403" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1475" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-82-5" />
+<Smiles name="SMILES"  value="CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="601" />
+<CompoundID name="Name"  value="Styrene" />
+<StructureFormula name="Structure"  value="(C6H5)CHCH2" />
+<Family name="Family"  value="18" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="636" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.352" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="418.31" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.54" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.54" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="10.6132" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.149" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115667" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297097" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.81E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.33E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06625" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.474E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.139E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="345100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.095E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93739" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.219E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7167" />
+  <B value="-9.6333E-09" />
+  <Tmin units="K"  value="93.15" />
+  <Tmax units="K"  value="102.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57789" />
+  <B value="0.23139" />
+  <C value="640.77" />
+  <D value="0.26351" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="640.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="399.8489" />
+  <B value="-19017.34" />
+  <C value="-58.96286" />
+  <D value="0.0000747957" />
+  <E value="2" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="636" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.110621E+08" />
+  <B value="3.429275" />
+  <C value="-6.061051" />
+  <D value="4.605581" />
+  <E value="-1.408226" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="615.29" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19432" />
+  <B value="1905.5" />
+  <C value="-18.713" />
+  <D value="0.095712" />
+  <E value="-0.00015273" />
+  <Tmin units="K"  value="15.28" />
+  <Tmax units="K"  value="240.03" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134310" />
+  <B value="-99.916" />
+  <C value="9.4935" />
+  <D value="0.0058294" />
+  <E value="-0.0000013972" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57806.72" />
+  <B value="-550.4249" />
+  <C value="12.95376" />
+  <D value="-0.0000950882" />
+  <E value="2.294759E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21818" />
+  <B value="-307.77" />
+  <C value="-59.025" />
+  <D value="55700" />
+  <E value="-203800" />
+  <Tmin units="K"  value="324" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.717" />
+  <B value="1824" />
+  <C value="1.9977" />
+  <D value="-4.7933E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6968E-08" />
+  <B value="0.90482" />
+  <C value="-32.023" />
+  <D value="10027" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.071817" />
+  <B value="-30.013" />
+  <C value="-1.0262" />
+  <D value="-0.0015623" />
+  <E value="2.7674E-07" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="598.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.010229" />
+  <B value="0.40085" />
+  <C value="535.56" />
+  <D value="704200" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.014356" />
+  <B value="-415.6" />
+  <C value="0.14176" />
+  <D value="-0.011441" />
+  <E value="0.0000063214" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="418.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36913.76" />
+  <B value="665.256" />
+  <C value="-0.485051" />
+  <D value="0.000140879" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.888" />
+  <B value="3339.6" />
+  <C value="-61.724" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="553.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.77036" />
+  <B value="-0.039418" />
+  <C value="0.000042054" />
+  <Tmin units="K"  value="242.54" />
+  <Tmax units="K"  value="418.31" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34819" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.758825E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="307.6339" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="127.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0621" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.909306" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24199" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115667" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.37" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.3" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.3" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01967" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19015.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115667" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-42-5" />
+<Smiles name="SMILES"  value="C=Cc1ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="504" />
+<CompoundID name="Name"  value="Ethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3609000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.374" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="409.36" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00390778" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12308" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.897E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06974" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.8E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.992E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.3073E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="360630" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9180300" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0026" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3448E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.465" />
+  <B value="-0.007103" />
+  <Tmin units="K"  value="71.28" />
+  <Tmax units="K"  value="178.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66155" />
+  <B value="0.25394" />
+  <C value="617.21" />
+  <D value="0.27883" />
+  <Tmin units="K"  value="163.1" />
+  <Tmax units="K"  value="617.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.5088" />
+  <B value="-9745.069" />
+  <C value="-17.34457" />
+  <D value="0.0000127987" />
+  <E value="2" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="617.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.990732E+07" />
+  <B value="0.380483" />
+  <C value="1.094304" />
+  <D value="-2.185536" />
+  <E value="1.1369" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="594.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8883.6" />
+  <B value="1417.5" />
+  <C value="-10.145" />
+  <D value="0.048416" />
+  <E value="-0.000088579" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="178.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131820" />
+  <B value="-90.983" />
+  <C value="10.031" />
+  <D value="0.0026504" />
+  <E value="0.0000033965" />
+  <Tmin units="K"  value="178.17" />
+  <Tmax units="K"  value="409.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65434" />
+  <B value="-619.34" />
+  <C value="13.166" />
+  <D value="-0.00016412" />
+  <E value="4.1529E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23456" />
+  <B value="-304.77" />
+  <C value="-54.496" />
+  <D value="-5921.9" />
+  <E value="-7767.5" />
+  <Tmin units="K"  value="307" />
+  <Tmax units="K"  value="1967" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.506" />
+  <B value="1237.2" />
+  <C value="0.52859" />
+  <D value="-9.1363E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000016833" />
+  <B value="0.39831" />
+  <C value="366.45" />
+  <D value="23750" />
+  <Tmin units="K"  value="178.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.026087" />
+  <B value="13.301" />
+  <C value="-1.6623" />
+  <D value="-0.00027844" />
+  <E value="-0.0000018214" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015932" />
+  <B value="1.3226" />
+  <C value="486.47" />
+  <D value="14367" />
+  <Tmin units="K"  value="409.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012337" />
+  <B value="28.706" />
+  <C value="-2.9284" />
+  <D value="-0.0000060499" />
+  <E value="-0.0000040717" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="594.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="37781" />
+  <B value="87.95" />
+  <C value="1.1344" />
+  <D value="-0.0016027" />
+  <E value="0.0000006556" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197605" />
+  <B value="-1500" />
+  <C value="-9" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.113" />
+  <B value="3424.2" />
+  <C value="-52.199" />
+  <Tmin units="K"  value="370.3" />
+  <Tmax units="K"  value="554.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0993" />
+  <B value="-0.043006" />
+  <C value="0.000049165" />
+  <Tmin units="K"  value="178.2" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3702" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.677111E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328.9612" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.58093" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0504" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.870033" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3048" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.122763" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.51" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.51" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004227" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2097" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2936" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17979.95" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1231" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-41-4" />
+<Smiles name="SMILES"  value="c1ccccc1(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="506" />
+<CompoundID name="Name"  value="M-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3541000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.375" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="412.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="225.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="225.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.18019" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.327" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.937E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.732E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.1876E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="358540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.157E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0367" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3318E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9327" />
+  <B value="0.00073817" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="225.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68902" />
+  <B value="0.26086" />
+  <C value="617" />
+  <D value="0.27479" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.968" />
+  <B value="-8164.7" />
+  <C value="-11.269" />
+  <D value="0.0000072101" />
+  <E value="2" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9562E+07" />
+  <B value="0.67841" />
+  <C value="-0.38938" />
+  <D value="0.0061115" />
+  <E value="0.10219" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25435" />
+  <B value="2467.9" />
+  <C value="-25.474" />
+  <D value="0.12997" />
+  <E value="-0.0002333" />
+  <Tmin units="K"  value="14.62" />
+  <Tmax units="K"  value="225.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="127090" />
+  <B value="-62.999" />
+  <C value="9.3762" />
+  <D value="0.0068549" />
+  <E value="-0.0000032778" />
+  <Tmin units="K"  value="217" />
+  <Tmax units="K"  value="540.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62092" />
+  <B value="-572.21" />
+  <C value="12.975" />
+  <D value="0.000062577" />
+  <E value="-3.7811E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.04628" />
+  <B value="237.59" />
+  <C value="-144.13" />
+  <D value="5318.3" />
+  <E value="-22675" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.362" />
+  <B value="1141.4" />
+  <C value="0.37182" />
+  <D value="-3.9423E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2954E-08" />
+  <B value="0.8097" />
+  <C value="14.386" />
+  <D value="8844.3" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021158" />
+  <B value="-27.324" />
+  <C value="-1.2663" />
+  <D value="-0.0016664" />
+  <E value="-3.6744E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2.8001E-09" />
+  <B value="2.4298" />
+  <C value="-575.12" />
+  <D value="122260" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081275" />
+  <B value="86.069" />
+  <C value="-3.5983" />
+  <D value="0.0020602" />
+  <E value="-0.0000069588" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="617" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33275" />
+  <B value="145.81" />
+  <C value="0.8805" />
+  <D value="-0.0012502" />
+  <E value="4.9953E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.301" />
+  <B value="3581.9" />
+  <C value="-45.994" />
+  <Tmin units="K"  value="371" />
+  <Tmax units="K"  value="555.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.65909" />
+  <B value="-0.033111" />
+  <C value="0.000034785" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.37312" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.807103E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.2272" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2593" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55541" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0502" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866882" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32699" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123391" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005645" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.002" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3045" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18041.31" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1235" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-38-3" />
+<Smiles name="SMILES"  value="c1(C)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="505" />
+<CompoundID name="Name"  value="O-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="630.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3732000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.98" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="21.842" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.312" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.836E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.908E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.22E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="353830" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.36E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03316" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.333E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.582" />
+  <B value="-0.0039991" />
+  <Tmin units="K"  value="203.1" />
+  <Tmax units="K"  value="248" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69962" />
+  <B value="0.26143" />
+  <C value="630.3" />
+  <D value="0.27365" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="630.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.08217" />
+  <B value="-7844.793" />
+  <C value="-9.738423" />
+  <D value="5.713756E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="630.33" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6979E+07" />
+  <B value="1.259" />
+  <C value="-1.849" />
+  <D value="1.5198" />
+  <E value="-0.50455" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="612" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12409" />
+  <B value="1322.1" />
+  <C value="-6.4842" />
+  <D value="0.018683" />
+  <E value="-0.000013938" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="247.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134490" />
+  <B value="-170.61" />
+  <C value="10.247" />
+  <D value="0.0049096" />
+  <E value="-0.0000031727" />
+  <Tmin units="K"  value="247.8" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73986" />
+  <B value="-589.13" />
+  <C value="12.936" />
+  <D value="0.000080122" />
+  <E value="-4.5074E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18068" />
+  <B value="-139.72" />
+  <C value="-79.094" />
+  <D value="-34596" />
+  <E value="63013" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.059" />
+  <B value="1251.7" />
+  <C value="-0.076438" />
+  <D value="0.000001254" />
+  <E value="2" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="418.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.783E-08" />
+  <B value="0.82039" />
+  <C value="-1.2715" />
+  <D value="13072" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.018751" />
+  <B value="-22.77" />
+  <C value="-1.3391" />
+  <D value="-0.0014281" />
+  <E value="-6.1692E-07" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="417.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000059387" />
+  <B value="1.356" />
+  <C value="-206" />
+  <D value="65058" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011942" />
+  <B value="49.212" />
+  <C value="-3.1236" />
+  <D value="0.00059647" />
+  <E value="-0.0000045152" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="610.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27346" />
+  <B value="283.89" />
+  <C value="0.41481" />
+  <D value="-0.00069301" />
+  <E value="2.7754E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.955809" />
+  <B value="-1300" />
+  <C value="-7.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.286" />
+  <B value="3609.8" />
+  <C value="-47.763" />
+  <Tmin units="K"  value="381.4" />
+  <Tmax units="K"  value="563.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.10974" />
+  <B value="-0.03518" />
+  <C value="0.000036077" />
+  <Tmin units="K"  value="247.98" />
+  <Tmax units="K"  value="418.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36733" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.653221E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="335.9706" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2633" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66585" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.05" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.883145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3118" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121145" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006569" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1646" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2904" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18389.04" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1212" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-47-6" />
+<Smiles name="SMILES"  value="c1(C)ccccc1(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="507" />
+<CompoundID name="Name"  value="P-xylene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="616.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3511000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="286.41" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="286.41" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="575.533" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="106.167" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12393" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.322" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.831E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07066" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.803E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.214E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352165" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.711E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0563" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.333E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.9" />
+  <B value="-0.021882" />
+  <Tmin units="K"  value="273.25" />
+  <Tmax units="K"  value="286.41" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67752" />
+  <B value="0.25887" />
+  <C value="616.2" />
+  <D value="0.27596" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="616.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.352" />
+  <B value="-8082.1" />
+  <C value="-11.197" />
+  <D value="0.0000072605" />
+  <E value="2" />
+  <Tmin units="K"  value="282.99" />
+  <Tmax units="K"  value="616.23" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6332E+07" />
+  <B value="0.37965" />
+  <C value="0.42395" />
+  <D value="-0.85683" />
+  <E value="0.43704" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="616.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19759" />
+  <B value="1635.7" />
+  <C value="-9.6261" />
+  <D value="0.031794" />
+  <E value="-0.000036966" />
+  <Tmin units="K"  value="19.11" />
+  <Tmax units="K"  value="286.41" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63084" />
+  <B value="-343.38" />
+  <C value="13.438" />
+  <D value="-0.0033851" />
+  <E value="0.0000045592" />
+  <Tmin units="K"  value="286.4" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62397" />
+  <B value="-585.6" />
+  <C value="13.025" />
+  <D value="0.0000037921" />
+  <E value="-1.7044E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.06505" />
+  <B value="248.78" />
+  <C value="-160.39" />
+  <D value="115610" />
+  <E value="-382400" />
+  <Tmin units="K"  value="338.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-23.916" />
+  <B value="1499.8" />
+  <C value="2.0719" />
+  <D value="-0.0000037065" />
+  <E value="2" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4281E-08" />
+  <B value="0.95421" />
+  <C value="-91.329" />
+  <D value="17547" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1273.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00066881" />
+  <B value="-122.94" />
+  <C value="-0.60875" />
+  <D value="-0.0037322" />
+  <E value="9.7446E-07" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000001261" />
+  <B value="1.8916" />
+  <C value="-453.43" />
+  <D value="111720" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080188" />
+  <B value="66.097" />
+  <C value="-3.4878" />
+  <D value="0.0018353" />
+  <E value="-0.0000068516" />
+  <Tmin units="K"  value="273.1" />
+  <Tmax units="K"  value="616.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34197" />
+  <B value="123.96" />
+  <C value="0.98194" />
+  <D value="-0.0013905" />
+  <E value="5.6006E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.717467" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.116" />
+  <B value="3447.8" />
+  <C value="-51.968" />
+  <Tmin units="K"  value="370.2" />
+  <Tmax units="K"  value="553" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8388" />
+  <B value="-0.025762" />
+  <C value="0.000023732" />
+  <Tmin units="K"  value="286.41" />
+  <Tmax units="K"  value="413.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.374" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.825207E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.8236" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2589" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="132" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.89953" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0503" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864229" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32159" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123921" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.54" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="3.54" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.010556" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7717" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2969" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17939.04" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-42-3" />
+<Smiles name="SMILES"  value="c1(C)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="140" />
+<CompoundID name="Name"  value="Ethylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.43" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.945" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.839" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.839" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000357389" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.143036" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.245525" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.932E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16340" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08069" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.715E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.955E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8334100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82185" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.87051E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.986" />
+  <B value="-0.0068877" />
+  <Tmin units="K"  value="64.74" />
+  <Tmax units="K"  value="161.84" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61774" />
+  <B value="0.26525" />
+  <C value="609.15" />
+  <D value="0.28064" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.60435" />
+  <B value="-7221.846" />
+  <C value="-8.661516" />
+  <D value="4.619539E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1066E+07" />
+  <B value="1.1095" />
+  <C value="-1.6401" />
+  <D value="1.5232" />
+  <E value="-0.54256" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13926" />
+  <B value="1604.5" />
+  <C value="-10.433" />
+  <D value="0.036407" />
+  <E value="-0.000012874" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="156" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106540" />
+  <B value="50.724" />
+  <C value="9.3758" />
+  <D value="0.0085193" />
+  <E value="-0.0000058679" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="404.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99579" />
+  <B value="-799.66" />
+  <C value="13.811" />
+  <D value="-0.00043634" />
+  <E value="1.1487E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24249" />
+  <B value="-292.83" />
+  <C value="-55.328" />
+  <D value="-12007" />
+  <E value="19757" />
+  <Tmin units="K"  value="304.57" />
+  <Tmax units="K"  value="1948.58" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.531" />
+  <B value="1686" />
+  <C value="1.7093" />
+  <D value="-0.0000001282" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.2871E-07" />
+  <B value="0.57053" />
+  <C value="258.88" />
+  <D value="-2237.2" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040212" />
+  <B value="3.9673" />
+  <C value="-1.6044" />
+  <D value="-0.00049691" />
+  <E value="-0.0000012623" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062751" />
+  <B value="1.1219" />
+  <C value="488.85" />
+  <D value="45648" />
+  <Tmin units="K"  value="404.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007744" />
+  <B value="40.259" />
+  <C value="-3.2447" />
+  <D value="0.0006801" />
+  <E value="-0.0000057319" />
+  <Tmin units="K"  value="161.84" />
+  <Tmax units="K"  value="609.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60082.24" />
+  <B value="864.6654" />
+  <C value="-0.464047" />
+  <D value="0.0000830984" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.544" />
+  <B value="3077.4" />
+  <C value="-63.681" />
+  <Tmin units="K"  value="367.48" />
+  <Tmax units="K"  value="538.52" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2715" />
+  <B value="-0.048749" />
+  <C value="0.000057505" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42269" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.157986E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.0179" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.20684" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0564" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.790679" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.24966" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143117" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3944" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.316" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.03518" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2426" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143117" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-91-7" />
+<Smiles name="SMILES"  value="C1CCCCC1(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="114" />
+<CompoundID name="Name"  value="N-propylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="596" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="155.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="155.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000458874" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145193" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.326642" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.135E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08062" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.481E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.344E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.003E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.89356E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.906" />
+  <B value="-0.0070521" />
+  <Tmin units="K"  value="62.32" />
+  <Tmax units="K"  value="155.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63061" />
+  <B value="0.26934" />
+  <C value="596" />
+  <D value="0.28169" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.39512" />
+  <B value="-7846.538" />
+  <C value="-10.93845" />
+  <D value="7.332031E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="596" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.088104E+07" />
+  <B value="1.477689" />
+  <C value="-1.919309" />
+  <D value="1.219865" />
+  <E value="-0.332624" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21119" />
+  <B value="1855.5" />
+  <C value="-9.5485" />
+  <D value="0.012148" />
+  <E value="0.000065366" />
+  <Tmin units="K"  value="20.68" />
+  <Tmax units="K"  value="155.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121270" />
+  <B value="281.76" />
+  <C value="6.7151" />
+  <D value="0.017545" />
+  <E value="-0.000016082" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82387" />
+  <B value="-676.01" />
+  <C value="13.514" />
+  <D value="-0.00019546" />
+  <E value="4.9854E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2479" />
+  <B value="-262.92" />
+  <C value="-60.711" />
+  <D value="-16273" />
+  <E value="25758" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.725" />
+  <B value="1601.8" />
+  <C value="1.7512" />
+  <D value="2.3108E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000028167" />
+  <B value="0.32978" />
+  <C value="562.31" />
+  <D value="4948.1" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.033741" />
+  <B value="2.5308" />
+  <C value="-1.6237" />
+  <D value="-0.00058186" />
+  <E value="-0.0000013118" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000098309" />
+  <B value="1.0636" />
+  <C value="611.41" />
+  <D value="33175" />
+  <Tmin units="K"  value="404.11" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014846" />
+  <B value="15.619" />
+  <C value="-2.8681" />
+  <D value="-0.00048241" />
+  <E value="-0.0000031204" />
+  <Tmin units="K"  value="155.81" />
+  <Tmax units="K"  value="572.83" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-64605.14" />
+  <B value="897.217" />
+  <C value="-0.586513" />
+  <D value="0.000162009" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.961" />
+  <B value="3302.2" />
+  <C value="-54.096" />
+  <Tmin units="K"  value="358.15" />
+  <Tmax units="K"  value="526.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.393" />
+  <B value="-0.045558" />
+  <C value="0.000054398" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="404.11" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.43959" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.048406E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="309.076" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0573" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.779333" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34698" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145193" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3944" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.316" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.012036" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.27189" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16393.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145193" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="12"  value="1" />
+  <group id="13"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2040-96-2" />
+<Smiles name="SMILES"  value="C1CCCC1(CCC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="27" />
+<CompoundID name="Name"  value="N-octane" />
+<StructureFormula name="Structure"  value="CH3(CH2)6CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.492" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="398.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="216.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="216.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.1083" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16353" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.397" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.546E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08872" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.234E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0875E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="467230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.074E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99752" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07415E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.3409" />
+  <B value="-0.0031515" />
+  <Tmin units="K"  value="133.15" />
+  <Tmax units="K"  value="216.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4436" />
+  <B value="0.23818" />
+  <C value="568.77" />
+  <D value="0.25171" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.76" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.46069" />
+  <B value="-7578.199" />
+  <C value="-9.657211" />
+  <D value="5.664818E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="568.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.509104E+07" />
+  <B value="0.906328" />
+  <C value="-0.61829" />
+  <D value="0.0251605" />
+  <E value="0.114898" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23993" />
+  <B value="1947.3" />
+  <C value="-8.5369" />
+  <D value="0.013403" />
+  <E value="0.000020934" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="216.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="184080" />
+  <B value="362.58" />
+  <C value="6.1268" />
+  <D value="0.015908" />
+  <E value="-0.000010697" />
+  <Tmin units="K"  value="216.37" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123360" />
+  <B value="-700.1" />
+  <C value="13.486" />
+  <D value="-0.00019118" />
+  <E value="4.5401E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22234" />
+  <B value="-247.06" />
+  <C value="-83.099" />
+  <D value="9339.9" />
+  <E value="-40370" />
+  <Tmin units="K"  value="256" />
+  <Tmax units="K"  value="1990.66" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-67.06275" />
+  <B value="2937.699" />
+  <C value="8.939458" />
+  <D value="-0.0000146474" />
+  <E value="2" />
+  <Tmin units="K"  value="211.15" />
+  <Tmax units="K"  value="454.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2215E-09" />
+  <B value="1.1166" />
+  <C value="-127.08" />
+  <D value="17623" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03316" />
+  <B value="17.841" />
+  <C value="-1.6367" />
+  <D value="-0.000047737" />
+  <E value="-0.0000026501" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="398.83" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-8968.5" />
+  <B value="0.84408" />
+  <C value="-2.7564E+10" />
+  <D value="-6.5097E+10" />
+  <Tmin units="K"  value="339" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010282" />
+  <B value="15.557" />
+  <C value="-3.0383" />
+  <D value="-0.00026764" />
+  <E value="-0.0000044265" />
+  <Tmin units="K"  value="216.38" />
+  <Tmax units="K"  value="568.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="89996" />
+  <B value="41.431" />
+  <C value="1.4759" />
+  <D value="-0.0019237" />
+  <E value="7.4664E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.909" />
+  <B value="3157.8" />
+  <C value="-62.156" />
+  <Tmin units="K"  value="344.31" />
+  <Tmax units="K"  value="510.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.23434" />
+  <B value="-0.034984" />
+  <C value="0.000035201" />
+  <Tmin units="K"  value="211.15" />
+  <Tmax units="K"  value="454.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.49042" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.452013E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.8637" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2567" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.58036" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.062" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.705377" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3998" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.163455" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8486" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.936" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="4.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000821" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.2075" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3992" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15445.57" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.163455" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-65-9" />
+<Smiles name="SMILES"  value="CCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="40" />
+<CompoundID name="Name"  value="2,2,3-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.89" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0021759" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16043" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.298" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.913E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14690" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1995E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.7726E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="423880" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8619000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99028" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06754E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9338" />
+  <B value="-0.0061647" />
+  <Tmin units="K"  value="64.36" />
+  <Tmax units="K"  value="160.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53892" />
+  <B value="0.263" />
+  <C value="563.51" />
+  <D value="0.24185" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="563.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.50671" />
+  <B value="-7031.238" />
+  <C value="-9.863302" />
+  <D value="7.128886E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="563.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.030131E+07" />
+  <B value="1.053957" />
+  <C value="-0.826185" />
+  <D value="0.00124096" />
+  <E value="0.214352" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="542.31" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="170570" />
+  <B value="-194.18" />
+  <C value="8.4382" />
+  <D value="0.017272" />
+  <E value="-0.000019404" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45546" />
+  <B value="-344.09" />
+  <C value="12.853" />
+  <D value="0.00059243" />
+  <E value="-1.8071E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26813" />
+  <B value="-335.1" />
+  <C value="-52.252" />
+  <D value="-7705.4" />
+  <E value="11664" />
+  <Tmin units="K"  value="281.75" />
+  <Tmax units="K"  value="1800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9806" />
+  <B value="1118.5" />
+  <C value="-0.42179" />
+  <D value="0.000001606" />
+  <E value="2" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6777E-07" />
+  <B value="0.5509" />
+  <C value="223.7" />
+  <D value="10.797" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050146" />
+  <B value="3.605" />
+  <C value="-1.5994" />
+  <D value="-0.00051269" />
+  <E value="-0.0000013443" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000016836" />
+  <B value="1.25" />
+  <C value="-167.06" />
+  <D value="132290" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015221" />
+  <B value="12.964" />
+  <C value="-2.9325" />
+  <D value="-0.00061856" />
+  <E value="-0.000002993" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="542.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-37332" />
+  <B value="898.15" />
+  <C value="-0.53928" />
+  <D value="0.00011981" />
+  <E value="1.1807E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.851" />
+  <B value="3143.8" />
+  <C value="-45.907" />
+  <Tmin units="K"  value="340.92" />
+  <Tmax units="K"  value="504.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.8115" />
+  <B value="-0.055178" />
+  <C value="0.000068762" />
+  <Tmin units="K"  value="160.89" />
+  <Tmax units="K"  value="383" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.4679" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.327233E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.9302" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.5705" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.718651" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.29649" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.160344" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001434" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2584" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2975" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14768.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.160344" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="564-02-3" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="41" />
+<CompoundID name="Name"  value="2,2,4-trimethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)3CCH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="543.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4697" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.777" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.777" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0170695" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16607" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.091E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14080" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2401E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.394E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9196000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97675" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.773" />
+  <B value="-0.0058781" />
+  <Tmin units="K"  value="66.31" />
+  <Tmax units="K"  value="165.78" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48523" />
+  <B value="0.24924" />
+  <C value="543.9" />
+  <D value="0.25602" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.89" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.71044" />
+  <B value="-6701.601" />
+  <C value="-9.312194" />
+  <D value="6.808451E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.89" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.633E+07" />
+  <B value="0.37451" />
+  <C value="-0.066775" />
+  <D value="-0.010135" />
+  <E value="0.080832" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3861.3" />
+  <B value="1005.9" />
+  <C value="-1.0592" />
+  <D value="0.0042173" />
+  <E value="-0.0000083422" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="165.79" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="159470" />
+  <B value="-380.54" />
+  <C value="12.372" />
+  <D value="-0.00044236" />
+  <E value="0.0000034887" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84635" />
+  <B value="-470.35" />
+  <C value="13.011" />
+  <D value="0.00041124" />
+  <E value="-1.2926E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26688" />
+  <B value="-321.67" />
+  <C value="-47.437" />
+  <D value="-5317.2" />
+  <E value="7275.9" />
+  <Tmin units="K"  value="271.9" />
+  <Tmax units="K"  value="1771" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.241" />
+  <B value="1365.6" />
+  <C value="1.8379" />
+  <D value="-0.0000051189" />
+  <E value="2" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="541.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9933E-07" />
+  <B value="0.67222" />
+  <C value="163.02" />
+  <D value="-5306.3" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.044744" />
+  <B value="-42.414" />
+  <C value="-1.7361" />
+  <D value="-0.0023225" />
+  <E value="-0.0000040597" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="372.39" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000011401" />
+  <B value="1.3632" />
+  <C value="286.23" />
+  <D value="6065.2" />
+  <Tmin units="K"  value="355.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097592" />
+  <B value="31.944" />
+  <C value="-3.3103" />
+  <D value="0.0003744" />
+  <E value="-0.0000053994" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="543.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3192.8" />
+  <B value="640.7" />
+  <C value="0.055291" />
+  <D value="-0.0004627" />
+  <E value="2.1776E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.714" />
+  <B value="2972" />
+  <C value="-48.851" />
+  <Tmin units="K"  value="327.85" />
+  <Tmax units="K"  value="488.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.727" />
+  <B value="-0.025461" />
+  <C value="0.000019917" />
+  <Tmin units="K"  value="165.78" />
+  <Tmax units="K"  value="541.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.47894" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.106578E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="301.9995" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.38564" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0608" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.694955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3045" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.165452" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004045" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.82187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3033" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14050.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.165452" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="540-84-1" />
+<Smiles name="SMILES"  value="CC(C)(C)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="42" />
+<CompoundID name="Name"  value="2,3,3-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="573.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="172.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0168197" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15815" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.291" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.96E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.252E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1845E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.828E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="857720" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91681" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06876E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9997" />
+  <B value="-0.0058029" />
+  <Tmin units="K"  value="68.89" />
+  <Tmax units="K"  value="172.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56592" />
+  <B value="0.26622" />
+  <C value="573.5" />
+  <D value="0.26429" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.87517" />
+  <B value="-6894.749" />
+  <C value="-9.15013" />
+  <D value="6.430758E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.838161E+07" />
+  <B value="1.059379" />
+  <C value="-1.234692" />
+  <D value="0.816701" />
+  <E value="-0.225175" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="0" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="217000" />
+  <B value="82.075" />
+  <C value="1.8853" />
+  <D value="0.036678" />
+  <E value="-0.000031911" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48585" />
+  <B value="-365.95" />
+  <C value="12.926" />
+  <D value="0.00051631" />
+  <E value="-1.5846E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26872" />
+  <B value="-341.85" />
+  <C value="-55.056" />
+  <D value="-7881.5" />
+  <E value="10783" />
+  <Tmin units="K"  value="286.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.941" />
+  <B value="1191.2" />
+  <C value="-0.045562" />
+  <D value="-0.0000023087" />
+  <E value="2" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="452.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.2493E-07" />
+  <B value="0.49302" />
+  <C value="371.93" />
+  <D value="-89.774" />
+  <Tmin units="K"  value="387.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040193" />
+  <B value="3.6823" />
+  <C value="-1.645" />
+  <D value="-0.00052834" />
+  <E value="-0.0000014091" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="387.91" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018829" />
+  <B value="1.2378" />
+  <C value="-181.1" />
+  <D value="146480" />
+  <Tmin units="K"  value="387.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01117" />
+  <B value="27.611" />
+  <C value="-3.1709" />
+  <D value="0.00013513" />
+  <E value="-0.0000044446" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="573.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-47609" />
+  <B value="980.6" />
+  <C value="-0.74331" />
+  <D value="0.00033358" />
+  <E value="-6.7846E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.868" />
+  <B value="3199.9" />
+  <C value="-45.369" />
+  <Tmin units="K"  value="345.13" />
+  <Tmax units="K"  value="513.19" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.0041" />
+  <B value="-0.04624" />
+  <C value="0.000049116" />
+  <Tmin units="K"  value="172.22" />
+  <Tmax units="K"  value="452.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.46322" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.938163E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.5544" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0601" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.729041" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.28889" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.158155" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003849" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2903" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14919.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.158155" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="560-21-4" />
+<Smiles name="SMILES"  value="CC(C)C(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="43" />
+<CompoundID name="Name"  value="2,3,4-trimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH3)CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="566.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4562" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="386.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="163.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="163.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00303425" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15974" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.316" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.061E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08869" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.231E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1732E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.9E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="428400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9267560" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0137" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06943E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9934" />
+  <B value="-0.006099" />
+  <Tmin units="K"  value="65.58" />
+  <Tmax units="K"  value="163.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44061" />
+  <B value="0.23657" />
+  <C value="566.41" />
+  <D value="0.23009" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.41936" />
+  <B value="-6957.084" />
+  <C value="-9.207327" />
+  <D value="0.0000063783" />
+  <E value="2" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="566.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6943E+07" />
+  <B value="0.86512" />
+  <C value="-0.77048" />
+  <D value="0.30586" />
+  <E value="0.021601" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="545.22" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39.715" />
+  <B value="1634.5" />
+  <C value="-9.2594" />
+  <D value="0.036339" />
+  <E value="-0.000053437" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="169.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108880" />
+  <B value="-13.14" />
+  <C value="10.55" />
+  <D value="0.00536" />
+  <E value="-0.0000028819" />
+  <Tmin units="K"  value="163.63" />
+  <Tmax units="K"  value="320" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="26624" />
+  <B value="-291.65" />
+  <C value="12.829" />
+  <D value="0.00059553" />
+  <E value="-0.0000001821" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27457" />
+  <B value="-374.14" />
+  <C value="-48.597" />
+  <D value="-10331" />
+  <E value="20216" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="1807.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.3467" />
+  <B value="935.74" />
+  <C value="-0.76144" />
+  <D value="7.5545E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="443.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7868E-07" />
+  <B value="0.51422" />
+  <C value="325.4" />
+  <D value="22.347" />
+  <Tmin units="K"  value="386.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.048086" />
+  <B value="3.7835" />
+  <C value="-1.6094" />
+  <D value="-0.00050636" />
+  <E value="-0.0000013704" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="386.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000017892" />
+  <B value="1.241" />
+  <C value="-169.67" />
+  <D value="132780" />
+  <Tmin units="K"  value="386.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013874" />
+  <B value="14.819" />
+  <C value="-2.967" />
+  <D value="-0.00050079" />
+  <E value="-0.0000033582" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="545.22" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9210.924" />
+  <B value="785.5524" />
+  <C value="-0.439805" />
+  <D value="0.0000969271" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.9" />
+  <B value="3174.1" />
+  <C value="-48.02" />
+  <Tmin units="K"  value="340.98" />
+  <Tmax units="K"  value="505.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.1859" />
+  <B value="-0.043813" />
+  <C value="0.0000493" />
+  <Tmin units="K"  value="163.95" />
+  <Tmax units="K"  value="443.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.46889" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.006212E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="318.7133" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.48909" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0602" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.721958" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31439" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159513" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.85" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.94" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004313" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.96638" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.316137" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14934.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159513" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="565-75-3" />
+<Smiles name="SMILES"  value="CC(C)C(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1204" />
+<CompoundID name="Name"  value="Tetraethylene glycol" />
+<StructureFormula name="Structure"  value="HOCH2(CH2OCH2)3CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="795" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.564" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="602.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000138348" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="194.226" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.172862" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.917442" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.602E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23690" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.08E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10902" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.552E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.83E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.599E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="650100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.66E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.3431E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4822" />
+  <B value="-0.0031101" />
+  <Tmin units="K"  value="107.26" />
+  <Tmax units="K"  value="268.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46229" />
+  <B value="0.26105" />
+  <C value="795" />
+  <D value="0.27055" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.7938" />
+  <B value="-15323.17" />
+  <C value="-10.86107" />
+  <D value="-5.284752E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.282157E+08" />
+  <B value="0.159236" />
+  <C value="1.504015" />
+  <D value="-1.941373" />
+  <E value="0.658104" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9682.3" />
+  <B value="1222.8" />
+  <C value="-2.3781" />
+  <D value="0.0060594" />
+  <E value="-0.000006823" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180650" />
+  <B value="-180.95" />
+  <C value="12.547" />
+  <D value="0.0020505" />
+  <E value="-0.0000018444" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="600.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122630" />
+  <B value="-416.14" />
+  <C value="13.02" />
+  <D value="0.00050957" />
+  <E value="-2.1012E-07" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.56254" />
+  <B value="-662.06" />
+  <C value="-258.7" />
+  <D value="201090" />
+  <E value="-5319300" />
+  <Tmin units="K"  value="397.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-702.8128" />
+  <B value="30403.47" />
+  <C value="106.7279" />
+  <D value="-0.000116388" />
+  <E value="2" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="636" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.6872E-08" />
+  <B value="0.801" />
+  <C value="119.91" />
+  <D value="0.29361" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11138" />
+  <B value="-134.47" />
+  <C value="-0.46393" />
+  <D value="-0.00084854" />
+  <E value="-4.1141E-07" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="602.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016749" />
+  <B value="0.91863" />
+  <C value="699.93" />
+  <D value="16777" />
+  <Tmin units="K"  value="602.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015451" />
+  <B value="194.65" />
+  <C value="-3.9184" />
+  <D value="0.0029026" />
+  <E value="-0.0000044511" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="795" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17162" />
+  <B value="938.31" />
+  <C value="-0.55677" />
+  <D value="0.00012535" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.098" />
+  <B value="4853.6" />
+  <C value="-143.25" />
+  <Tmin units="K"  value="477.43" />
+  <Tmax units="K"  value="711.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="10.586" />
+  <B value="-0.059489" />
+  <C value="0.00004594" />
+  <Tmin units="K"  value="268.15" />
+  <Tmax units="K"  value="636" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.83332" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.434827E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="226.5127" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="199.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0807" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.13028" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.7224" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.173363" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.1269" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.440001" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.930639" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23571.8" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.173363" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="26"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="5" />
+  <group id="14"  value="2" />
+  <group id="28"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="21"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="15"  value="2" />
+  <group id="26"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="14"  value="2" />
+  <group id="25"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-60-7" />
+<Smiles name="SMILES"  value="OCCOCCOCCOCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="803" />
+<CompoundID name="Name"  value="Indene" />
+<StructureFormula name="Structure"  value="C6H4(CH2CHCH)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="687" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.77" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="271.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="271.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="17.0209" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.116856" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.333766" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.839E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06723" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.23E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.6328E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.3396E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336870" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.02E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2681" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.61948E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.129" />
+  <B value="-0.0046181" />
+  <Tmin units="K"  value="108.68" />
+  <Tmax units="K"  value="271.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68574" />
+  <B value="0.25341" />
+  <C value="687" />
+  <D value="0.30914" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="198.3126" />
+  <B value="-13212.05" />
+  <C value="-26.47637" />
+  <D value="0.0000206314" />
+  <E value="2" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="687" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.127174E+08" />
+  <B value="2.195635" />
+  <C value="-2.278889" />
+  <D value="0.782692" />
+  <E value="-0.231351" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-52909" />
+  <B value="1891.2" />
+  <C value="-10.945" />
+  <D value="0.035915" />
+  <E value="-0.000041132" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="271.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87661" />
+  <B value="-18.633" />
+  <C value="10.258" />
+  <D value="0.0056195" />
+  <E value="-0.0000040934" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="54598" />
+  <B value="-572.63" />
+  <C value="13.077" />
+  <D value="-0.000062304" />
+  <E value="-1.4084E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40021" />
+  <B value="-548.58" />
+  <C value="-63.413" />
+  <D value="-36103" />
+  <E value="53578" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-136.89" />
+  <B value="6165.4" />
+  <C value="19.669" />
+  <D value="-0.000025488" />
+  <E value="2" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1278E-07" />
+  <B value="0.4938" />
+  <C value="370.54" />
+  <D value="-3708.9" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0034145" />
+  <B value="-80.459" />
+  <C value="-0.91571" />
+  <D value="-0.0024408" />
+  <E value="2.3991E-07" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000075165" />
+  <B value="1.055" />
+  <C value="558.89" />
+  <D value="35355" />
+  <Tmin units="K"  value="455.77" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0084894" />
+  <B value="135.54" />
+  <C value="-3.7264" />
+  <D value="0.0026269" />
+  <E value="-0.0000065847" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="665.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-34733" />
+  <B value="643.24" />
+  <C value="-0.38654" />
+  <D value="0.00008602" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.786" />
+  <B value="3534.8" />
+  <C value="-73.926" />
+  <Tmin units="K"  value="413.15" />
+  <Tmax units="K"  value="599.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.2731" />
+  <B value="-0.040741" />
+  <C value="0.000039218" />
+  <Tmin units="K"  value="271.7" />
+  <Tmax units="K"  value="455.77" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.36114" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.195685E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.8965" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="124.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.481" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0516" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.00263" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.262" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.116856" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.431773" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.892" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.02812" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.8814" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.262" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20467.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.116856" />
+<UnifacVLE name="UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-13-6" />
+<Smiles name="SMILES"  value="c1(CC=C2)c2cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="820" />
+<CompoundID name="Name"  value="Indane" />
+<StructureFormula name="Structure"  value="C6H4(CH2)3" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="684.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.393" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="451" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.74" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.74" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.152927" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.178" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12315" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.309213" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.85E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.77E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.07E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.668E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="348910" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8598000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87712" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.7626E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.978" />
+  <B value="-0.0055307" />
+  <Tmin units="K"  value="88.7" />
+  <Tmax units="K"  value="221.74" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63627" />
+  <B value="0.25179" />
+  <C value="684.9" />
+  <D value="0.29165" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.02207" />
+  <B value="-8795.05" />
+  <C value="-11.00248" />
+  <D value="6.105132E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2067E+07" />
+  <B value="-0.0045874" />
+  <C value="2.0817" />
+  <D value="-3.2476" />
+  <E value="1.6013" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-355.12" />
+  <B value="1287.7" />
+  <C value="-10.018" />
+  <D value="0.047026" />
+  <E value="-0.000077286" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="221.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136380" />
+  <B value="-29.478" />
+  <C value="8.0608" />
+  <D value="0.01305" />
+  <E value="-0.000010993" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="451.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60321" />
+  <B value="-643.06" />
+  <C value="13.337" />
+  <D value="-0.00018807" />
+  <E value="3.6677E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.087726" />
+  <B value="-163.08" />
+  <C value="-117.03" />
+  <D value="24981" />
+  <E value="-82865" />
+  <Tmin units="K"  value="342.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-151.95" />
+  <B value="6810.2" />
+  <C value="21.863" />
+  <D value="-0.00002342" />
+  <E value="2" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="547.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002842" />
+  <B value="0.64259" />
+  <C value="225.95" />
+  <D value="-643.44" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.041318" />
+  <B value="5.7098" />
+  <C value="-1.5369" />
+  <D value="-0.00043639" />
+  <E value="-0.0000010195" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="451.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0089527" />
+  <B value="0.43447" />
+  <C value="617.91" />
+  <D value="764370" />
+  <Tmin units="K"  value="451.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094403" />
+  <B value="81.588" />
+  <C value="-3.3664" />
+  <D value="0.0013789" />
+  <E value="-0.000005115" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="684.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-47835" />
+  <B value="715.44" />
+  <C value="-0.41555" />
+  <D value="0.0000889" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.208" />
+  <B value="3817.3" />
+  <C value="-56.866" />
+  <Tmin units="K"  value="412" />
+  <Tmax units="K"  value="611.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0311" />
+  <B value="-0.045083" />
+  <C value="0.000044726" />
+  <Tmin units="K"  value="221.74" />
+  <Tmax units="K"  value="547.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.381158" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.491035E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="417.5667" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263427" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.40707" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0528" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.862893" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.305" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123128" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.66381" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.108" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.85719" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.305" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19405.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.123128" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="3" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="10"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="496-11-7" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)CCC2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="510" />
+<CompoundID name="Name"  value="Cumene" />
+<StructureFormula name="Structure"  value="(C6H5)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="631" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3209000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4347" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.52" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.14" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.14" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000471313" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14017" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.326" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.322E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.014E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4000000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.379E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7326000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97464" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.951E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.07" />
+  <B value="-0.0062914" />
+  <Tmin units="K"  value="70.86" />
+  <Tmax units="K"  value="177.14" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50221" />
+  <B value="0.23722" />
+  <C value="631.11" />
+  <D value="0.26133" />
+  <Tmin units="K"  value="153.1" />
+  <Tmax units="K"  value="631.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.1491" />
+  <B value="-9251.635" />
+  <C value="-14.30054" />
+  <D value="9.196883E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.766E+07" />
+  <B value="0.38939" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10800" />
+  <B value="1565.7" />
+  <C value="-10.507" />
+  <D value="0.040966" />
+  <E value="-0.000034539" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="177.16" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41467" />
+  <B value="-297.98" />
+  <C value="13.905" />
+  <D value="-0.0047724" />
+  <E value="0.0000064694" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86134" />
+  <B value="-649.19" />
+  <C value="13.375" />
+  <D value="-0.00027067" />
+  <E value="7.9617E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25813" />
+  <B value="-351.41" />
+  <C value="-75.368" />
+  <D value="-30164" />
+  <E value="51230" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1893" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.711" />
+  <B value="1557.8" />
+  <C value="0.70915" />
+  <D value="0.000002636" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9385E-07" />
+  <B value="0.59572" />
+  <C value="281.33" />
+  <D value="-806.82" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.085857" />
+  <B value="481.58" />
+  <C value="-8.587" />
+  <D value="0.025021" />
+  <E value="-0.000042138" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="500" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.6743E-07" />
+  <B value="1.8369" />
+  <C value="-449.46" />
+  <D value="112760" />
+  <Tmin units="K"  value="380" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080328" />
+  <B value="47.667" />
+  <C value="-3.2474" />
+  <D value="0.00083757" />
+  <E value="-0.0000055542" />
+  <Tmin units="K"  value="177.14" />
+  <Tmax units="K"  value="631" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24819" />
+  <B value="284.32" />
+  <C value="0.99258" />
+  <D value="-0.0016755" />
+  <E value="0.0000007419" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.498" />
+  <B value="3116.8" />
+  <C value="-78.092" />
+  <Tmin units="K"  value="380.45" />
+  <Tmax units="K"  value="562.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.7243" />
+  <B value="-0.05195" />
+  <C value="0.000062446" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42713" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.084995E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.2265" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2617" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139854" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2708" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.044" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.008698" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3353" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17436.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139854" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-82-8" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="509" />
+<CompoundID name="Name"  value="N-propylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH2CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="638.35" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.44" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="432.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="173.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="173.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000181372" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1402" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.345" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.344E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07997" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.012E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="7900000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.376E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="400140" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9268000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0802" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.95415E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.129" />
+  <B value="-0.0065012" />
+  <Tmin units="K"  value="69.42" />
+  <Tmax units="K"  value="173.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56872" />
+  <B value="0.25108" />
+  <C value="638.35" />
+  <D value="0.29337" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="638.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.904" />
+  <B value="-8254.5" />
+  <C value="-10.105" />
+  <D value="0.0000055769" />
+  <E value="2" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="638.35" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1312E+07" />
+  <B value="1.0445" />
+  <C value="-0.61076" />
+  <D value="-0.59569" />
+  <E value="0.63332" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="639.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18982" />
+  <B value="1868.5" />
+  <C value="-13.446" />
+  <D value="0.053298" />
+  <E value="-0.000064273" />
+  <Tmin units="K"  value="15.78" />
+  <Tmax units="K"  value="173.59" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44429" />
+  <B value="65.841" />
+  <C value="10.897" />
+  <D value="0.0032658" />
+  <E value="-5.4402E-07" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82370" />
+  <B value="-622.6" />
+  <C value="13.289" />
+  <D value="-0.00014307" />
+  <E value="2.6658E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27002" />
+  <B value="-373.98" />
+  <C value="-70.824" />
+  <D value="-57233" />
+  <E value="135160" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1914.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.601" />
+  <B value="1467.9" />
+  <C value="0.61045" />
+  <D value="8.0442E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6834E-07" />
+  <B value="0.55936" />
+  <C value="217.09" />
+  <D value="10253" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081391" />
+  <B value="2.87" />
+  <C value="-1.3455" />
+  <D value="-0.00061835" />
+  <E value="-5.1664E-07" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.025018" />
+  <B value="0.26728" />
+  <C value="100.66" />
+  <D value="971170" />
+  <Tmin units="K"  value="432.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010179" />
+  <B value="31.565" />
+  <C value="-3.0234" />
+  <D value="0.00013909" />
+  <E value="-0.0000042396" />
+  <Tmin units="K"  value="173.55" />
+  <Tmax units="K"  value="638.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="39569" />
+  <B value="199.18" />
+  <C value="0.98601" />
+  <D value="-0.0014461" />
+  <E value="5.8733E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.146" />
+  <B value="3610.6" />
+  <C value="-57.056" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="564.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.6832" />
+  <B value="-0.043893" />
+  <C value="0.00004826" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="432.39" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.42982" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.985018E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="349.669" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2599" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.70588" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.864757" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.34319" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139831" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2716" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.048" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.007551" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4065" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3444" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17805.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139831" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="103-65-1" />
+<Smiles name="SMILES"  value="c1(CCC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="149" />
+<CompoundID name="Name"  value="N-propylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="639.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2807000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.477" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.897" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="178.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="178.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000859078" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.159758" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.259535" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.367E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16350" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.157E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.933E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.738E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="419530" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.037E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87516" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.47966E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8087" />
+  <B value="-0.005494" />
+  <Tmin units="K"  value="71.3" />
+  <Tmax units="K"  value="178.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55532" />
+  <B value="0.26594" />
+  <C value="639.15" />
+  <D value="0.29886" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.958" />
+  <B value="-7871.7" />
+  <C value="-8.8759" />
+  <D value="0.0000037842" />
+  <E value="2" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8086E+07" />
+  <B value="1.2548" />
+  <C value="-2.1193" />
+  <D value="2.1809" />
+  <E value="-0.84474" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17515" />
+  <B value="1789.5" />
+  <C value="-10.949" />
+  <D value="0.037847" />
+  <E value="-0.000022183" />
+  <Tmin units="K"  value="20.44" />
+  <Tmax units="K"  value="166.83" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47569" />
+  <B value="39.903" />
+  <C value="11.009" />
+  <D value="0.0038436" />
+  <E value="-0.0000012583" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123230" />
+  <B value="-835.51" />
+  <C value="14.003" />
+  <D value="-0.00055451" />
+  <E value="1.5912E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27598" />
+  <B value="-333.23" />
+  <C value="-82.257" />
+  <D value="-29470" />
+  <E value="49574" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1754" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.964" />
+  <B value="1768.3" />
+  <C value="1.0133" />
+  <D value="0.0000031666" />
+  <E value="2" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010206" />
+  <B value="0.44533" />
+  <C value="352.16" />
+  <D value="7219.8" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049742" />
+  <B value="3.3035" />
+  <C value="-1.5814" />
+  <D value="-0.00048571" />
+  <E value="-0.000001015" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000001205" />
+  <B value="1.6222" />
+  <C value="-42.945" />
+  <D value="15739" />
+  <Tmin units="K"  value="429.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011029" />
+  <B value="31.201" />
+  <C value="-3.1062" />
+  <D value="0.00016942" />
+  <E value="-0.000003854" />
+  <Tmin units="K"  value="178.25" />
+  <Tmax units="K"  value="639.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-62027.8" />
+  <B value="982.0266" />
+  <C value="-0.560028" />
+  <D value="0.000114244" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.417" />
+  <B value="3136.4" />
+  <C value="-77.095" />
+  <Tmin units="K"  value="383.78" />
+  <Tmax units="K"  value="566.38" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.8674" />
+  <B value="-0.044293" />
+  <C value="0.000049254" />
+  <Tmin units="K"  value="248.15" />
+  <Tmax units="K"  value="429.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.4812" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.622026E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.1178" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0646" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.796026" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26539" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159758" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.068799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.856" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2577" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16377.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159758" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-92-8" />
+<Smiles name="SMILES"  value="C1CCCCC1CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="46" />
+<CompoundID name="Name"  value="N-nonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)7CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.555" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="423.97" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.430583" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1797" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.443" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.814E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09895" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.369E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.498E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="506400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.547E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68455E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4283" />
+  <B value="-0.0023699" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="219.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46379" />
+  <B value="0.25569" />
+  <C value="594.6" />
+  <D value="0.27961" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="34.38252" />
+  <B value="-6235.412" />
+  <C value="-1.153933" />
+  <D value="-6.408486E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.427482E+07" />
+  <B value="1.573752" />
+  <C value="-1.785921" />
+  <D value="0.692082" />
+  <E value="0.00268541" />
+  <Tmin units="K"  value="219.63" />
+  <Tmax units="K"  value="594.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-28596" />
+  <B value="2152.5" />
+  <C value="-8.5201" />
+  <D value="0.0044645" />
+  <E value="0.000055805" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="217.21" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="263370" />
+  <B value="-14466" />
+  <C value="134.04" />
+  <D value="-0.36823" />
+  <E value="0.00038456" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="325" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137710" />
+  <B value="-699.52" />
+  <C value="13.613" />
+  <D value="-0.00021735" />
+  <E value="5.3695E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.46778" />
+  <B value="-570.55" />
+  <C value="-46.368" />
+  <D value="-127140" />
+  <E value="315920" />
+  <Tmin units="K"  value="297.83" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-75.488" />
+  <B value="3420.7" />
+  <C value="10.183" />
+  <D value="-0.000014836" />
+  <E value="2" />
+  <Tmin units="K"  value="218.15" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0363E-07" />
+  <B value="0.77284" />
+  <C value="221.39" />
+  <D value="-190.1" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.022998" />
+  <B value="-23.224" />
+  <C value="-1.6475" />
+  <D value="-0.000633" />
+  <E value="-0.0000035211" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="423.97" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.065472" />
+  <B value="0.27739" />
+  <C value="-3569.2" />
+  <D value="-1629700" />
+  <Tmin units="K"  value="423.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056952" />
+  <B value="124.02" />
+  <C value="-4.2139" />
+  <D value="0.0035336" />
+  <E value="-0.0000093096" />
+  <Tmin units="K"  value="219.66" />
+  <Tmax units="K"  value="594.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="101040" />
+  <B value="38.039" />
+  <C value="1.6975" />
+  <D value="-0.0022264" />
+  <E value="8.7011E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.112" />
+  <B value="3452.4" />
+  <C value="-63.768" />
+  <Tmin units="K"  value="357.73" />
+  <Tmax units="K"  value="515.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.5536" />
+  <B value="-0.024184" />
+  <C value="0.000017792" />
+  <Tmin units="K"  value="218.15" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550289" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.8299E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.6737" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251687" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.1157" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0686" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720247" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.4437" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179507" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.523" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.476" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.005435" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.3143" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4439" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15648.08" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1796" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="7" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-84-2" />
+<Smiles name="SMILES"  value="CCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="701" />
+<CompoundID name="Name"  value="Naphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H4)" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="748.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.407" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="491.16" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="353.434" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="353.43" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="991.297" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.174" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12913" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.045E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07464" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.42E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.5058E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.2408E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="333150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.898E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96523" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.9809E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.819" />
+  <B value="-0.0022406" />
+  <Tmin units="K"  value="281.46" />
+  <Tmax units="K"  value="353.43" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45282" />
+  <B value="0.21953" />
+  <C value="748.4" />
+  <D value="0.23236" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="748.35" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.15947" />
+  <B value="-9448.063" />
+  <C value="-10.23844" />
+  <D value="4.335455E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="748.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.732822E+07" />
+  <B value="1.116621" />
+  <C value="-1.313575" />
+  <D value="0.672121" />
+  <E value="-0.00584514" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="749.42" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7014.1" />
+  <B value="684.23" />
+  <C value="-2.2709" />
+  <D value="0.008208" />
+  <E value="-0.0000076772" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="353.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="149170" />
+  <B value="579.65" />
+  <C value="3.8152" />
+  <D value="0.021624" />
+  <E value="-0.000015657" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="491.14" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49831" />
+  <B value="-547.92" />
+  <C value="13.201" />
+  <D value="-0.00013999" />
+  <E value="2.8208E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13484" />
+  <B value="-251.35" />
+  <C value="-132.06" />
+  <D value="-59271" />
+  <E value="77447" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2151" />
+  <B value="1338.2" />
+  <C value="-0.46592" />
+  <D value="0.00000135" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2323E-08" />
+  <B value="1.0475" />
+  <C value="-162.06" />
+  <D value="35144" />
+  <Tmin units="K"  value="325.8" />
+  <Tmax units="K"  value="1266.41" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.033214" />
+  <B value="-361.89" />
+  <C value="-0.012818" />
+  <D value="-0.0040236" />
+  <E value="0.0000012782" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="694.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000017754" />
+  <B value="1.2123" />
+  <C value="69.759" />
+  <D value="78517" />
+  <Tmin units="K"  value="371.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074501" />
+  <B value="94.11" />
+  <C value="-3.4217" />
+  <D value="0.0018602" />
+  <E value="-0.0000054745" />
+  <Tmin units="K"  value="353.43" />
+  <Tmax units="K"  value="727.61" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24021" />
+  <B value="118.95" />
+  <C value="1.3285" />
+  <D value="-0.0019897" />
+  <E value="8.4583E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.318" />
+  <B value="4256.5" />
+  <C value="-56.542" />
+  <Tmin units="K"  value="452.66" />
+  <Tmax units="K"  value="673.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8047" />
+  <B value="-0.019941" />
+  <C value="0.000014687" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.38343" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.805835E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="409.9511" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.88" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.35375" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0554" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.969046" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130825" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.920237" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.368" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005006" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.78227" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19187.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130825" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="8" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="8" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="8" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="91-20-3" />
+<Smiles name="SMILES"  value="c1cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="723" />
+<CompoundID name="Name"  value="1-methylindene" />
+<StructureFormula name="Structure"  value="CH3(C9H7)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="703" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="471.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.186" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134643" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.334861" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.195E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19120" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07745" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.56E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.912E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.97E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="354000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.28E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.82" />
+  <B value="-1.1395E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61191" />
+  <B value="0.25938" />
+  <C value="703" />
+  <D value="0.29267" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.18824" />
+  <B value="-8859.756" />
+  <C value="-9.212247" />
+  <D value="3.741568E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="703" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.0901E+07" />
+  <B value="1.9933" />
+  <C value="-4.5733" />
+  <D value="5.098" />
+  <E value="-2.0923" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3419.9" />
+  <B value="1162.6" />
+  <C value="-5.6175" />
+  <D value="0.02291" />
+  <E value="-0.000035065" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152820" />
+  <B value="-189.88" />
+  <C value="10.81" />
+  <D value="0.00256" />
+  <E value="-0.0000011085" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="471.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-133130" />
+  <B value="-213.74" />
+  <C value="13.196" />
+  <D value="0.00017372" />
+  <E value="-4.8074E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28669" />
+  <B value="-413.47" />
+  <C value="-98.347" />
+  <D value="-24136" />
+  <E value="-27455" />
+  <Tmin units="K"  value="351.5" />
+  <Tmax units="K"  value="1931.5" />
+  </SecondVirialCoefficient>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000033072" />
+  <B value="0.32792" />
+  <C value="786.18" />
+  <D value="680.97" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.018671" />
+  <B value="-66.592" />
+  <C value="-0.99313" />
+  <D value="-0.0021306" />
+  <E value="2.0941E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="471.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000091267" />
+  <B value="1.0385" />
+  <C value="720.72" />
+  <D value="-19410" />
+  <Tmin units="K"  value="471.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011077" />
+  <B value="98.828" />
+  <C value="-3.4597" />
+  <D value="0.0014463" />
+  <E value="-0.0000045421" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="680.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-96611" />
+  <B value="1045.1" />
+  <C value="-0.86408" />
+  <D value="0.00027375" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.371" />
+  <B value="4079.4" />
+  <C value="-58.289" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="703" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.419867" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.191125E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="349.703" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261176" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.5" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0578" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.97441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.33569" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134207" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.105471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.424" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.33569" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18312.4" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134207" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="767-59-9" />
+<Smiles name="SMILES"  value="C1=CC=C2C(=C1)C=CC2C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="724" />
+<CompoundID name="Name"  value="2-methylindene" />
+<StructureFormula name="Structure"  value="CH3(C9H7)" />
+<Family name="Family"  value="23" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="711" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="479.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="353.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="353.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3020.69" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.186" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13407" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.350814" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.21E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07744" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.15E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.19E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.21E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8568" />
+  <B value="-0.0013205" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="353.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58652" />
+  <B value="0.25339" />
+  <C value="711" />
+  <D value="0.28941" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.273" />
+  <B value="-9299.2" />
+  <C value="-10.097" />
+  <D value="0.0000042786" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.303067E+07" />
+  <B value="0.433923" />
+  <C value="0.764504" />
+  <D value="-1.615634" />
+  <E value="0.843055" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3419.9" />
+  <B value="1162.6" />
+  <C value="-5.6175" />
+  <D value="0.02291" />
+  <E value="-0.000035065" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156160" />
+  <B value="-200.07" />
+  <C value="10.512" />
+  <D value="0.0025015" />
+  <E value="-0.0000010635" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="479.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-154380" />
+  <B value="-193.88" />
+  <C value="13.203" />
+  <D value="0.00019348" />
+  <E value="-5.2535E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29598" />
+  <B value="-426.37" />
+  <C value="-103.51" />
+  <D value="-35570" />
+  <E value="-7294.6" />
+  <Tmin units="K"  value="355.5" />
+  <Tmax units="K"  value="1877" />
+  </SecondVirialCoefficient>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.6835E-07" />
+  <B value="0.47111" />
+  <C value="397.83" />
+  <D value="9327.5" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.057046" />
+  <B value="-181.52" />
+  <C value="-0.63312" />
+  <D value="-0.0038758" />
+  <E value="-8.2839E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="479.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00009568" />
+  <B value="1.0268" />
+  <C value="701.49" />
+  <D value="-31051" />
+  <Tmin units="K"  value="458" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.046165" />
+  <B value="-77.721" />
+  <C value="-1.5311" />
+  <D value="-0.0027248" />
+  <E value="9.8161E-07" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="711" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-89608" />
+  <B value="1020.3" />
+  <C value="-0.836" />
+  <D value="0.00026368" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.171" />
+  <B value="3944.4" />
+  <C value="-70.171" />
+  <Tmin units="K"  value="438.79" />
+  <Tmax units="K"  value="620.26" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.419809" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.292766E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="339.0997" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259776" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.5" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0578" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.97849" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133656" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.104812" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.32769" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17790.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133656" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="8"  value="1" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2177-47-1" />
+<Smiles name="SMILES"  value="C1=CC=C2C(=C1)C=C(C2)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="316" />
+<CompoundID name="Name"  value="Dicyclopentadiene" />
+<StructureFormula name="Structure"  value="C10H12" />
+<Family name="Family"  value="14" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.445" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="443" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="305.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="305.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="566.19" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="132.202" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134736" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.288011" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.981E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17800" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08146" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.3E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.961E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.75E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="240000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2090000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00701" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.535E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4692" />
+  <B value="-0.0037207" />
+  <Tmin units="K"  value="122.06" />
+  <Tmax units="K"  value="307" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41899" />
+  <B value="0.20539" />
+  <C value="660" />
+  <D value="0.34053" />
+  <Tmin units="K"  value="299.82" />
+  <Tmax units="K"  value="641.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.31496" />
+  <B value="-7292.827" />
+  <C value="-7.388294" />
+  <D value="3.746895E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="243.37" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0543E+07" />
+  <B value="1.9867" />
+  <C value="-4.6545" />
+  <D value="5.1772" />
+  <E value="-2.0831" />
+  <Tmin units="K"  value="215.37" />
+  <Tmax units="K"  value="641.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5863.1" />
+  <B value="689.22" />
+  <C value="-1.2292" />
+  <D value="0.0028409" />
+  <E value="-0.0000028796" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="305.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83937" />
+  <B value="-392.22" />
+  <C value="13.886" />
+  <D value="-0.0031138" />
+  <E value="0.000003368" />
+  <Tmin units="K"  value="226.76" />
+  <Tmax units="K"  value="443.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38735" />
+  <B value="-535.99" />
+  <C value="13.553" />
+  <D value="-0.00031277" />
+  <E value="0.0000001075" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30263" />
+  <B value="-423.69" />
+  <C value="-80.39" />
+  <D value="-8399.9" />
+  <E value="-29911" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.633" />
+  <B value="1272.8" />
+  <C value="0.067676" />
+  <D value="-1.2999E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="443" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004337" />
+  <B value="0.561" />
+  <C value="232.6" />
+  <D value="-0.00081701" />
+  <Tmin units="K"  value="305.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029848" />
+  <B value="47.178" />
+  <C value="-2.5363" />
+  <D value="0.0023572" />
+  <E value="-0.0000058893" />
+  <Tmin units="K"  value="215.37" />
+  <Tmax units="K"  value="443" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00025878" />
+  <B value="0.8604" />
+  <C value="51.14" />
+  <D value="244020" />
+  <Tmin units="K"  value="443" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0036707" />
+  <B value="-111.23" />
+  <C value="-2.5419" />
+  <D value="0.0011565" />
+  <E value="-0.0000087684" />
+  <Tmin units="K"  value="289.37" />
+  <Tmax units="K"  value="641.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-93645" />
+  <B value="1047.4" />
+  <C value="-0.74596" />
+  <D value="0.00019876" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="3463.4" />
+  <C value="-65.612" />
+  <Tmin units="K"  value="397.37" />
+  <Tmax units="K"  value="593.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0484" />
+  <B value="-0.038478" />
+  <C value="0.000039089" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="443" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.47426" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.592001E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.7627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.99181" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2851" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.138585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8156" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.548" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285111" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17445.1" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.138585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="3"  value="4" />
+  <group id="6"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="2" />
+  <group id="78"  value="2" />
+  <group id="79"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="77-73-6" />
+<Smiles name="SMILES"  value="C1=CC2C(C3)C=CC3C2C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="518" />
+<CompoundID name="Name"  value="N-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)(CH2)3CH3" />
+<Family name="Family"  value="16" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000154386" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15678" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.849E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.23E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0902" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.147E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.314E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.454E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439490" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.122E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5644E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.915" />
+  <B value="-0.0053456" />
+  <Tmin units="K"  value="74.12" />
+  <Tmax units="K"  value="185.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50648" />
+  <B value="0.25203" />
+  <C value="660.5" />
+  <D value="0.29203" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="660.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.11" />
+  <B value="-9186.6" />
+  <C value="-11.379" />
+  <D value="0.0000058585" />
+  <E value="2" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.5698E+07" />
+  <B value="0.30842" />
+  <C value="0.67062" />
+  <D value="-1.1135" />
+  <E value="0.53276" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18859" />
+  <B value="1942.8" />
+  <C value="-11.998" />
+  <D value="0.0352" />
+  <E value="-0.0000012248" />
+  <Tmin units="K"  value="15.46" />
+  <Tmax units="K"  value="176.91" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173590" />
+  <B value="115.14" />
+  <C value="7.4501" />
+  <D value="0.014631" />
+  <E value="-0.000011875" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97423" />
+  <B value="-619.62" />
+  <C value="13.35" />
+  <D value="-0.000032816" />
+  <E value="-9.3502E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28148" />
+  <B value="-399.22" />
+  <C value="-98.306" />
+  <D value="-38470" />
+  <E value="66230" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1815" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.829" />
+  <B value="1737.7" />
+  <C value="1.0385" />
+  <D value="0.0000015468" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="456.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4687E-07" />
+  <B value="0.59512" />
+  <C value="233.67" />
+  <D value="177.63" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.081204" />
+  <B value="245.71" />
+  <C value="-5.5946" />
+  <D value="0.01322" />
+  <E value="-0.00002506" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.19225" />
+  <B value="-0.0011093" />
+  <C value="-156.74" />
+  <D value="1712400" />
+  <Tmin units="K"  value="456.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077709" />
+  <B value="39.218" />
+  <C value="-3.1402" />
+  <D value="0.00039689" />
+  <E value="-0.0000047539" />
+  <Tmin units="K"  value="185.3" />
+  <Tmax units="K"  value="660.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="53961" />
+  <B value="158.64" />
+  <C value="1.3025" />
+  <D value="-0.0018341" />
+  <E value="7.3891E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.151" />
+  <B value="3770" />
+  <C value="-64.789" />
+  <Tmin units="K"  value="400.04" />
+  <Tmax units="K"  value="585.47" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.5752" />
+  <B value="-0.047333" />
+  <C value="0.000051973" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="456.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.49211" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.374551E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.2727" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.3181" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.064" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863174" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3921" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156494" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.946" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.588" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005215" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7426" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3923" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17450.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156494" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="104-51-8" />
+<Smiles name="SMILES"  value="c1(CCCC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="152" />
+<CompoundID name="Name"  value="N-butylcyclohexane" />
+<StructureFormula name="Structure"  value="(C6H11)CH2CH2CH2CH3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="667" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.534" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="454.131" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="198.42" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="198.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00365804" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="140.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.176266" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.274326" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.831E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10115" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.292E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1317E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.654E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="458480" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.416E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0128" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0902E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.8228" />
+  <B value="-0.0043849" />
+  <Tmin units="K"  value="79.37" />
+  <Tmax units="K"  value="198.42" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49786" />
+  <B value="0.26572" />
+  <C value="667" />
+  <D value="0.30254" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.702" />
+  <B value="-8417.7" />
+  <C value="-8.6968" />
+  <D value="0.0000027713" />
+  <E value="2" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.7656E+07" />
+  <B value="1.637" />
+  <C value="-3.3269" />
+  <D value="3.6698" />
+  <E value="-1.48" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18810" />
+  <B value="1861.7" />
+  <C value="-9.714" />
+  <D value="0.029711" />
+  <E value="-0.000021893" />
+  <Tmin units="K"  value="19.69" />
+  <Tmax units="K"  value="182.77" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117850" />
+  <B value="44.861" />
+  <C value="10.356" />
+  <D value="0.0053947" />
+  <E value="-0.0000020204" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="667" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145450" />
+  <B value="-890.37" />
+  <C value="14.241" />
+  <D value="-0.0007098" />
+  <E value="2.1101E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30987" />
+  <B value="-371.48" />
+  <C value="-115.93" />
+  <D value="-59916" />
+  <E value="103120" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="1834" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-66.15115" />
+  <B value="3536.438" />
+  <C value="8.46644" />
+  <D value="-7.612217E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="533.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.6992E-07" />
+  <B value="0.52089" />
+  <C value="326.29" />
+  <D value="-3328.7" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040753" />
+  <B value="3.9448" />
+  <C value="-1.6588" />
+  <D value="-0.00045987" />
+  <E value="-0.0000010215" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="454.43" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000063509" />
+  <B value="1.1032" />
+  <C value="470.22" />
+  <D value="42922" />
+  <Tmin units="K"  value="454.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0078825" />
+  <B value="39.221" />
+  <C value="-3.1848" />
+  <D value="0.00024234" />
+  <E value="-0.0000043706" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="642.34" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60324.92" />
+  <B value="1061.481" />
+  <C value="-0.587852" />
+  <D value="0.000112386" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.259" />
+  <B value="3153.7" />
+  <C value="-92.942" />
+  <Tmin units="K"  value="406.1" />
+  <Tmax units="K"  value="593.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.0207" />
+  <B value="-0.046654" />
+  <C value="0.000047972" />
+  <Tmin units="K"  value="198.42" />
+  <Tmax units="K"  value="533.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.56133" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.106917E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.6273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="205.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0704" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.801447" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42513" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.176266" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7432" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.028388" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3618" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16411.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.176266" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="12"  value="1" />
+  <group id="13"  value="5" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1678-93-9" />
+<Smiles name="SMILES"  value="C1CCCCC1CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="56" />
+<CompoundID name="Name"  value="N-decane" />
+<StructureFormula name="Structure"  value="CH3(CH2)8CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="617.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.624" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="447.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="243.51" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="243.51" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.39297" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.285" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.19595" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.491" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.148E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.504E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4946E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.318E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="545700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.871E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2407" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.29422E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.8978" />
+  <B value="-0.0024599" />
+  <Tmin units="K"  value="193.15" />
+  <Tmax units="K"  value="243.51" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.37424" />
+  <B value="0.2405" />
+  <C value="617.7" />
+  <D value="0.27182" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="6.023802" />
+  <B value="-5713.196" />
+  <C value="3.410225" />
+  <D value="-0.000012633" />
+  <E value="2" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7689E+07" />
+  <B value="-1.1412" />
+  <C value="5.1463" />
+  <D value="-6.2946" />
+  <E value="2.6623" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31951" />
+  <B value="2362.8" />
+  <C value="-10.206" />
+  <D value="0.015203" />
+  <E value="0.000023859" />
+  <Tmin units="K"  value="19.93" />
+  <Tmax units="K"  value="243.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="160660" />
+  <B value="291.43" />
+  <C value="8.5687" />
+  <D value="0.0098408" />
+  <E value="-0.0000060811" />
+  <Tmin units="K"  value="242.3" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152020" />
+  <B value="-697.29" />
+  <C value="13.714" />
+  <D value="-0.00021747" />
+  <E value="4.9426E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.42912" />
+  <B value="-507.47" />
+  <C value="-102.75" />
+  <D value="-147160" />
+  <E value="373570" />
+  <Tmin units="K"  value="309.23" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-102.98" />
+  <B value="4517.9" />
+  <C value="14.495" />
+  <D value="-0.00002056" />
+  <E value="2" />
+  <Tmin units="K"  value="240.05" />
+  <Tmax units="K"  value="494.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3638E-08" />
+  <B value="0.95886" />
+  <C value="24.698" />
+  <D value="7541.9" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.071684" />
+  <B value="-217.03" />
+  <C value="-0.47424" />
+  <D value="-0.0039028" />
+  <E value="-0.0000049442" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="447.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-668.49" />
+  <B value="0.93224" />
+  <C value="-4.0687E+09" />
+  <D value="-1.0176E+09" />
+  <Tmin units="K"  value="447.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051431" />
+  <B value="154.8" />
+  <C value="-4.4562" />
+  <D value="0.0041164" />
+  <E value="-0.0000095358" />
+  <Tmin units="K"  value="243.51" />
+  <Tmax units="K"  value="617.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="111970" />
+  <B value="34.414" />
+  <C value="1.9229" />
+  <D value="-0.002534" />
+  <E value="9.9524E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.985" />
+  <B value="3507.8" />
+  <C value="-76.505" />
+  <Tmin units="K"  value="375.01" />
+  <Tmax units="K"  value="538.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.056572" />
+  <B value="-0.032506" />
+  <C value="0.000029737" />
+  <Tmin units="K"  value="240.05" />
+  <Tmax units="K"  value="494.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.61922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.179973E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.7822" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2503" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34943" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0756" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.732721" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.4916" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195806" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.2" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.02" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003324" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.7327" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.4869" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15791.26" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.196" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="8" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-18-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="702" />
+<CompoundID name="Name"  value="1-methylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)CH3" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="772" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.462" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517.84" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.043382" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.2" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13937" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.435E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19890" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08511" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.179E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="377400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6945000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96548" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5958E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4144" />
+  <B value="-0.0042867" />
+  <Tmin units="K"  value="97.07" />
+  <Tmax units="K"  value="242.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59739" />
+  <B value="0.26468" />
+  <C value="772" />
+  <D value="0.2918" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="753.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.89852" />
+  <B value="-9115.529" />
+  <C value="-7.252019" />
+  <D value="2.094885E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="772.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.0001E+07" />
+  <B value="0.3382" />
+  <C value="0.060354" />
+  <D value="-0.021035" />
+  <E value="-0.0086978" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="772.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10175" />
+  <B value="1369.3" />
+  <C value="-8.8231" />
+  <D value="0.038851" />
+  <E value="-0.000058806" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="240.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134210" />
+  <B value="116.27" />
+  <C value="8.3119" />
+  <D value="0.012175" />
+  <E value="-0.000010378" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67134" />
+  <B value="-530.75" />
+  <C value="13.222" />
+  <D value="-0.000033319" />
+  <E value="-3.2916E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15567" />
+  <B value="-253.83" />
+  <C value="-196.1" />
+  <D value="-31135" />
+  <E value="-111130" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.170859" />
+  <B value="1169.912" />
+  <C value="-3.261889" />
+  <D value="6.874562E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4606E-07" />
+  <B value="0.6456" />
+  <C value="239.2" />
+  <D value="-8656.8" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049867" />
+  <B value="2.2749" />
+  <C value="-1.45" />
+  <D value="-0.00045282" />
+  <E value="-7.0729E-07" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.5229" />
+  <B value="-0.35024" />
+  <C value="-1389.7" />
+  <D value="2465100" />
+  <Tmin units="K"  value="517.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013368" />
+  <B value="52.546" />
+  <C value="-2.9174" />
+  <D value="0.00019752" />
+  <E value="-0.0000028051" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="744.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-46869" />
+  <B value="820.01" />
+  <C value="-0.41207" />
+  <D value="-0.000085888" />
+  <E value="1.0651E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.512" />
+  <B value="4531" />
+  <C value="-63.887" />
+  <Tmin units="K"  value="464" />
+  <Tmax units="K"  value="693.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.0924" />
+  <B value="-0.056774" />
+  <C value="0.000057342" />
+  <Tmin units="K"  value="242.67" />
+  <Tmax units="K"  value="517.83" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465187" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.297362E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="389.4123" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="161.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.37108" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0623" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0232" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3337" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1398" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.610415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.056699" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.77801" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3337" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20129.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1398" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="7" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="7" />
+  <group id="8"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="90-12-0" />
+<Smiles name="SMILES"  value="c1(C)cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="703" />
+<CompoundID name="Name"  value="2-methylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)CH3" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="761" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3540000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.462" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="514.2" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="307.73" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="307.73" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18.6897" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.2" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.374" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.426E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08511" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.161E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.163E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.212E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.00411" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.58286E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9663" />
+  <B value="-0.0049976" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53405" />
+  <B value="0.25024" />
+  <C value="761.16" />
+  <D value="0.28587" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="761.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="98.05854" />
+  <B value="-10275.56" />
+  <C value="-10.82814" />
+  <D value="3.919145E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="761.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.0724E+07" />
+  <B value="1.2004" />
+  <C value="-1.1581" />
+  <D value="0.47852" />
+  <E value="-0.081108" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="761.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4930.5" />
+  <B value="1192.6" />
+  <C value="-5.4492" />
+  <D value="0.016185" />
+  <E value="-0.000012597" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="307.73" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74335" />
+  <B value="-307.25" />
+  <C value="13.46" />
+  <D value="-0.0028051" />
+  <E value="0.000003645" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="514.26" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69292" />
+  <B value="-534.4" />
+  <C value="13.21" />
+  <D value="-0.00001663" />
+  <E value="-8.8386E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22212" />
+  <B value="-342.38" />
+  <C value="-170.61" />
+  <D value="-97471" />
+  <E value="108730" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-88.346" />
+  <B value="4977.8" />
+  <C value="11.629" />
+  <D value="-0.0000078261" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="608.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029847" />
+  <B value="0.34183" />
+  <C value="891.22" />
+  <D value="-28677" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0084839" />
+  <B value="-307.37" />
+  <C value="0.18174" />
+  <D value="-0.0046509" />
+  <E value="0.0000016652" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="514.26" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000098384" />
+  <B value="1.0234" />
+  <C value="722.6" />
+  <D value="42453" />
+  <Tmin units="K"  value="514.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.042844" />
+  <B value="-52.703" />
+  <C value="-1.7419" />
+  <D value="-0.0021776" />
+  <E value="5.2767E-07" />
+  <Tmin units="K"  value="307.73" />
+  <Tmax units="K"  value="737.14" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-38837" />
+  <B value="780.58" />
+  <C value="-0.36035" />
+  <D value="-0.00011067" />
+  <E value="0.0000001095" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.535" />
+  <B value="3740.1" />
+  <C value="-99.198" />
+  <Tmin units="K"  value="460.76" />
+  <Tmax units="K"  value="673.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.90585" />
+  <B value="-0.032061" />
+  <C value="0.00002781" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="608.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465187" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.331317E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="378.5547" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="161.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0624" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0073" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3815" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.610415" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.936" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3815" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19870.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="7" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="7"  value="7" />
+  <group id="8"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="7" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="7" />
+  <group id="10"  value="2" />
+  <group id="11"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="91-57-6" />
+<Smiles name="SMILES"  value="c1c(C)ccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="63" />
+<CompoundID name="Name"  value="N-undecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)9CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="639" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1980000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.689" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="469.08" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.571" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.571" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.408414" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="156.312" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.21224" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.538" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.496E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.639E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.7043E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.116E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="584930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.218E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3766" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.9036E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.2757" />
+  <B value="-0.0028242" />
+  <Tmin units="K"  value="99.03" />
+  <Tmax units="K"  value="247.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36785" />
+  <B value="0.24938" />
+  <C value="639" />
+  <D value="0.28395" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.8551" />
+  <B value="-11029.21" />
+  <C value="-15.54009" />
+  <D value="8.030888E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.9735E+07" />
+  <B value="0.81788" />
+  <C value="0.31647" />
+  <D value="-1.4781" />
+  <E value="0.80673" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-39053" />
+  <B value="2684.8" />
+  <C value="-12.418" />
+  <D value="0.023835" />
+  <E value="0.000012675" />
+  <Tmin units="K"  value="28.87" />
+  <Tmax units="K"  value="214.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="208030" />
+  <B value="521.1" />
+  <C value="6.1551" />
+  <D value="0.017086" />
+  <E value="-0.000013175" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="433.42" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177700" />
+  <B value="-730.83" />
+  <C value="13.81" />
+  <D value="-0.00021088" />
+  <E value="5.7776E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.60629" />
+  <B value="-760.54" />
+  <C value="-75.703" />
+  <D value="-307370" />
+  <E value="805010" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-92.575" />
+  <B value="4408.9" />
+  <C value="12.698" />
+  <D value="-0.000015556" />
+  <E value="2" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="511.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9213E-08" />
+  <B value="0.9335" />
+  <C value="118.62" />
+  <D value="-4363.8" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.015185" />
+  <B value="-212.29" />
+  <C value="-0.044539" />
+  <D value="-0.0049614" />
+  <E value="0.0000013629" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="469.08" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.037608" />
+  <B value="0.6852" />
+  <C value="33443" />
+  <D value="9124600" />
+  <Tmin units="K"  value="469.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.099094" />
+  <B value="-34.281" />
+  <C value="-1.5565" />
+  <D value="-0.0016817" />
+  <E value="9.0654E-07" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="639" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11238.22" />
+  <B value="1067.841" />
+  <C value="-0.600948" />
+  <D value="0.000132394" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.005" />
+  <B value="3654.7" />
+  <C value="-83.504" />
+  <Tmin units="K"  value="384.11" />
+  <Tmax units="K"  value="556.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.80609" />
+  <B value="-0.035059" />
+  <C value="0.00003251" />
+  <Tmin units="K"  value="247.57" />
+  <Tmax units="K"  value="511.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.684519" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.41521E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.4536" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.243351" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="230.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.98384" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0825" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.742846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5349" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.212215" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.871799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.556" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.012698" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.1446" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.521" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15934.45" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2122" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="9" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1120-21-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="808" />
+<CompoundID name="Name"  value="Acenaphthene" />
+<StructureFormula name="Structure"  value="C12H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="803.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3100000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.553" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="550.54" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="366.56" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="366.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="199.997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.208" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149792" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.381147" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.5E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0909799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.55E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.602E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.1462E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0014E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7696" />
+  <B value="-0.0028899" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="366.56" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.39942" />
+  <B value="0.22066" />
+  <C value="803.15" />
+  <D value="0.24043" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="73.737" />
+  <B value="-9735.5" />
+  <C value="-7.1321" />
+  <D value="0.0000016079" />
+  <E value="2" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="803.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.785978E+08" />
+  <B value="10.14483" />
+  <C value="-25.41937" />
+  <D value="26.03775" />
+  <E value="-9.982155" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2546" />
+  <B value="828.81" />
+  <C value="-2.4427" />
+  <D value="0.0073064" />
+  <E value="-0.0000044872" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="366.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173930" />
+  <B value="379.65" />
+  <C value="5.6292" />
+  <D value="0.017939" />
+  <E value="-0.000013551" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60762" />
+  <B value="-515.4" />
+  <C value="13.307" />
+  <D value="-0.000026823" />
+  <E value="-1.013E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.53731" />
+  <B value="401.04" />
+  <C value="-321.41" />
+  <D value="-48048" />
+  <E value="-100110" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2073" />
+  <B value="1373.2" />
+  <C value="-0.25871" />
+  <D value="-0.0000036859" />
+  <E value="2" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000015547" />
+  <B value="0.4064" />
+  <C value="630.11" />
+  <D value="26.274" />
+  <Tmin units="K"  value="550.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.059552" />
+  <B value="-91.592" />
+  <C value="-1.7169" />
+  <D value="-0.0019056" />
+  <E value="1.2951E-07" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000078027" />
+  <B value="1.0286" />
+  <C value="593.39" />
+  <D value="37622" />
+  <Tmin units="K"  value="550.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090914" />
+  <B value="266.35" />
+  <C value="-4.4764" />
+  <D value="0.0037262" />
+  <E value="-0.00000553" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="803.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-54576" />
+  <B value="908.74" />
+  <C value="-0.58719" />
+  <D value="0.00014077" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.25834" />
+  <B value="-1500" />
+  <C value="-9" />
+  <Tmin units="K"  value="275.2611" />
+  <Tmax units="K"  value="445.2611" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.212" />
+  <B value="4475.2" />
+  <C value="-88.378" />
+  <Tmin units="K"  value="483.15" />
+  <Tmax units="K"  value="711.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.07954" />
+  <B value="-0.022051" />
+  <C value="0.000012441" />
+  <Tmin units="K"  value="366.56" />
+  <Tmax units="K"  value="550.54" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.500752" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.820483E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.9754" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257114" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="177.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0645" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.08499" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.382" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149792" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.997356" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.96" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.382" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19480.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149792" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="6" />
+  <group id="11"  value="2" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="6" />
+  <group id="10"  value="2" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="10"  value="6" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="2" />
+  <group id="7"  value="6" />
+  <group id="8"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="6" />
+  <group id="11"  value="2" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="6" />
+  <group id="10"  value="2" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="83-32-9" />
+<Smiles name="SMILES"  value="C12=CC=CC3=C1C(=CC=C3)CC2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="558" />
+<CompoundID name="Name"  value="Biphenyl" />
+<StructureFormula name="Structure"  value="(C6H5)2" />
+<Family name="Family"  value="21" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="789.26" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3847270" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.491118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.294" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="528.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="342.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="342.372" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="84.2725" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.211" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155536" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3643" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.834E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19383" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0916799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.066E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.82088E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.80077E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="392668" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.85769E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08574" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.0317E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.53" />
+  <B value="8.742E-09" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="351.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50803" />
+  <B value="0.25417" />
+  <C value="789.26" />
+  <D value="0.2795" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="154.3401" />
+  <B value="-13555.42" />
+  <C value="-19.05582" />
+  <D value="8.30386E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.680865E+07" />
+  <B value="0.473092" />
+  <C value="1.061004" />
+  <D value="-2.226343" />
+  <E value="1.156876" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="221670" />
+  <B value="-2517.1" />
+  <C value="16.838" />
+  <D value="-0.039851" />
+  <E value="0.000036033" />
+  <Tmin units="K"  value="185" />
+  <Tmax units="K"  value="342.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="24132" />
+  <B value="-12.395" />
+  <C value="11.585" />
+  <D value="0.0029407" />
+  <E value="-0.0000014331" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="79583" />
+  <B value="-635.84" />
+  <C value="13.574" />
+  <D value="-0.00034935" />
+  <E value="9.291E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26138" />
+  <B value="-245.47" />
+  <C value="-216.33" />
+  <D value="-240010" />
+  <E value="501010" />
+  <Tmin units="K"  value="395" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.998" />
+  <B value="1574.4" />
+  <C value="-0.022671" />
+  <D value="-3.4058E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7776E-07" />
+  <B value="0.70632" />
+  <C value="118.6" />
+  <D value="61798" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.086277" />
+  <B value="-343.48" />
+  <C value="0.36261" />
+  <D value="-0.00791" />
+  <E value="0.0000032504" />
+  <Tmin units="K"  value="357.65" />
+  <Tmax units="K"  value="528" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000031971" />
+  <B value="1.1528" />
+  <C value="215.14" />
+  <D value="115000" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0069524" />
+  <B value="142.55" />
+  <C value="-3.829" />
+  <D value="0.0025886" />
+  <E value="-0.0000054473" />
+  <Tmin units="K"  value="342.37" />
+  <Tmax units="K"  value="789.26" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7009.1" />
+  <B value="510.44" />
+  <C value="0.52814" />
+  <D value="-0.0011436" />
+  <E value="5.1292E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.881" />
+  <B value="4024.6" />
+  <C value="-97.95" />
+  <Tmin units="K"  value="474.02" />
+  <Tmax units="K"  value="707.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.8372" />
+  <B value="-0.017826" />
+  <C value="0.000010734" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.48899" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.396712E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="628.324" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="177.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.068" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.619296" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.36329" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155536" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0434" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.24" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000398" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3643" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19383" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155536" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="10" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="92-52-4" />
+<Smiles name="SMILES"  value="c1ccccc1(c2ccccc2)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="64" />
+<CompoundID name="Name"  value="N-dodecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)10CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1820000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.754" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="489.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.568" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="263.568" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.615203" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="170.338" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.22859" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.914E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.774E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.9072E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.981E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="624150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.684E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3026" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.51368E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.7375" />
+  <B value="-0.0024301" />
+  <Tmin units="K"  value="105.43" />
+  <Tmax units="K"  value="263.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.30334" />
+  <B value="0.23617" />
+  <C value="658" />
+  <D value="0.2706" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="658" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.8877" />
+  <B value="-11582.12" />
+  <C value="-15.22541" />
+  <D value="6.680034E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.812979E+07" />
+  <B value="0.939672" />
+  <C value="-0.0412509" />
+  <D value="-0.949322" />
+  <E value="0.501567" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-40692" />
+  <B value="2827.2" />
+  <C value="-13.076" />
+  <D value="0.027179" />
+  <E value="0.0000013665" />
+  <Tmin units="K"  value="29.97" />
+  <Tmax units="K"  value="258.41" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="203950" />
+  <B value="627.31" />
+  <C value="6.2796" />
+  <D value="0.014676" />
+  <E value="-0.0000079758" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="193680" />
+  <B value="-732.61" />
+  <C value="13.902" />
+  <D value="-0.00022284" />
+  <E value="6.2257E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.89899" />
+  <B value="-1118.5" />
+  <C value="-43.998" />
+  <D value="-559660" />
+  <E value="1526700" />
+  <Tmin units="K"  value="329" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.21108" />
+  <B value="4238.311" />
+  <C value="11.14639" />
+  <D value="-0.0000124656" />
+  <E value="2" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="526.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4481E-08" />
+  <B value="0.85223" />
+  <C value="245.71" />
+  <D value="-11928" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029364" />
+  <B value="-108.04" />
+  <C value="-0.7007" />
+  <D value="-0.0040791" />
+  <E value="6.1377E-07" />
+  <Tmin units="K"  value="263.44" />
+  <Tmax units="K"  value="489.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000055504" />
+  <B value="1.4726" />
+  <C value="558.15" />
+  <D value="3563.6" />
+  <Tmin units="K"  value="489.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0049404" />
+  <B value="162.06" />
+  <C value="-4.4354" />
+  <D value="0.0037865" />
+  <E value="-0.0000084256" />
+  <Tmin units="K"  value="263.57" />
+  <Tmax units="K"  value="658" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="143250" />
+  <B value="-60.213" />
+  <C value="2.6541" />
+  <D value="-0.0035189" />
+  <E value="0.0000014153" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.4825" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.859" />
+  <B value="3663.7" />
+  <C value="-96.745" />
+  <Tmin units="K"  value="399.53" />
+  <Tmax units="K"  value="574.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.30944" />
+  <B value="-0.030368" />
+  <C value="0.000024892" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="526.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.75581" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.921276E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.4588" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2466" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="250.86" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.00586" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.751145" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58069" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.228633" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.5462" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.096" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001931" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.18518" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.561" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16036.72" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2286" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="10" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-40-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="738" />
+<CompoundID name="Name"  value="Fluorene" />
+<StructureFormula name="Structure"  value="(C6H4)CH2(C6H4)" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="826" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.524" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="570.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="387.94" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="387.94" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="281.665" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.219" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15327" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.404163" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.3E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09367" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.869E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.901E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.9578E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95089" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.4251E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2313" />
+  <B value="-2.9598E-09" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.43683" />
+  <B value="0.229" />
+  <C value="826" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.8746" />
+  <B value="-13833.84" />
+  <C value="-17.04805" />
+  <D value="0.0000063782" />
+  <E value="2" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="870" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.581E+07" />
+  <B value="1.317" />
+  <C value="-1.4739" />
+  <D value="-0.0034969" />
+  <E value="0.61586" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="181.01" />
+  <B value="986.6" />
+  <C value="-3.6964" />
+  <D value="0.012043" />
+  <E value="-0.000010424" />
+  <Tmin units="K"  value="98.37" />
+  <Tmax units="K"  value="387.94" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="172320" />
+  <B value="813.11" />
+  <C value="3.2969" />
+  <D value="0.023275" />
+  <E value="-0.000018014" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57825" />
+  <B value="-560.42" />
+  <C value="13.575" />
+  <D value="-0.00027161" />
+  <E value="7.5804E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-1.7303" />
+  <B value="1592" />
+  <C value="-617.99" />
+  <D value="-13420" />
+  <E value="-481950" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-33.053" />
+  <B value="2454.9" />
+  <C value="3.4575" />
+  <D value="-0.0000042581" />
+  <E value="2" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7084E-07" />
+  <B value="0.56204" />
+  <C value="373.69" />
+  <D value="-49.196" />
+  <Tmin units="K"  value="570.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.013258" />
+  <B value="-130.68" />
+  <C value="-0.68476" />
+  <D value="-0.0022566" />
+  <E value="3.0043E-07" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017437" />
+  <B value="0.9152" />
+  <C value="500.25" />
+  <D value="62613" />
+  <Tmin units="K"  value="570.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0067753" />
+  <B value="569.69" />
+  <C value="-6.1981" />
+  <D value="0.007814" />
+  <E value="-0.000008755" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="826" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-79598" />
+  <B value="1036.6" />
+  <C value="-0.70705" />
+  <D value="0.00017819" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.876" />
+  <B value="4244" />
+  <C value="-116.23" />
+  <Tmin units="K"  value="503.15" />
+  <Tmax units="K"  value="733.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.1567" />
+  <B value="-0.019014" />
+  <C value="0.000011754" />
+  <Tmin units="K"  value="387.94" />
+  <Tmax units="K"  value="570.44" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.517307" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.821711E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.486" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="193.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="1.5595" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0696" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.29618" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.349259" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.128237" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.174687" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-3.571" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.349259" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21645.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.128237" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="8" />
+  <group id="11"  value="3" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="8" />
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="10"  value="8" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="8" />
+  <group id="8"  value="4" />
+  <group id="10"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="8" />
+  <group id="11"  value="3" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="8" />
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="86-73-7" />
+<Smiles name="SMILES"  value="C1=CC=CC2=C1C(C=CC=C3)=C3C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="65" />
+<CompoundID name="Name"  value="N-tridecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)11CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="675" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.823" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="508.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="267.76" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="267.76" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.250959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="184.365" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.24494" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.61" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.198E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1398" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.909E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.1177E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.771E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="663370" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.85E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3955" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.1229E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.0333" />
+  <B value="-0.00042229" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="267.76" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.29787" />
+  <B value="0.24164" />
+  <C value="675" />
+  <D value="0.29254" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.3256" />
+  <B value="-12766.72" />
+  <C value="-17.45421" />
+  <D value="7.99709E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.732822E+07" />
+  <B value="0.667983" />
+  <C value="0.462399" />
+  <D value="-1.329972" />
+  <E value="0.649193" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-30593" />
+  <B value="2351.8" />
+  <C value="-3.2425" />
+  <D value="-0.035182" />
+  <E value="0.00013219" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="255" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37167" />
+  <B value="123.48" />
+  <C value="11.52" />
+  <D value="0.0033147" />
+  <E value="-0.0000011194" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="508.62" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="191240" />
+  <B value="-657.52" />
+  <C value="13.861" />
+  <D value="-0.00011498" />
+  <E value="3.3409E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34822" />
+  <B value="-309.7" />
+  <C value="-296.34" />
+  <D value="-20030" />
+  <E value="-158270" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1858" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-81.45907" />
+  <B value="4309.552" />
+  <C value="10.81921" />
+  <D value="-0.000011395" />
+  <E value="2" />
+  <Tmin units="K"  value="267.67" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0146E-08" />
+  <B value="0.91936" />
+  <C value="136.12" />
+  <D value="2279.8" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.037294" />
+  <B value="-193.16" />
+  <C value="-0.1108" />
+  <D value="-0.0058295" />
+  <E value="0.0000022551" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="508.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000050471" />
+  <B value="1.4806" />
+  <C value="553.99" />
+  <D value="7554.4" />
+  <Tmin units="K"  value="508.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.090941" />
+  <B value="-41.14" />
+  <C value="-1.5711" />
+  <D value="-0.0017455" />
+  <E value="8.9906E-07" />
+  <Tmin units="K"  value="267.76" />
+  <Tmax units="K"  value="675" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="154200" />
+  <B value="-63.489" />
+  <C value="2.8771" />
+  <D value="-0.0038228" />
+  <E value="0.0000015389" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.322" />
+  <B value="4115.8" />
+  <C value="-88" />
+  <Tmin units="K"  value="410.76" />
+  <Tmax units="K"  value="605.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0999" />
+  <B value="-0.033761" />
+  <C value="0.000029279" />
+  <Tmin units="K"  value="267.67" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.83173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.409996E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.8677" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2465" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="271.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.20131" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0972" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.758814" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.634" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.244445" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="9.2206" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="7.636" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.42096" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6002" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16139" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2449" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="11" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-50-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="805" />
+<CompoundID name="Name"  value="Phenanthrene" />
+<StructureFormula name="Structure"  value="C14H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="869" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.554" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.222" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="610.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="372.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="372.38" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="29.2781" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="178.229" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.167077" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.470716" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.961E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09956" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.084E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.012E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.0219E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="394500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6463E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4497" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.8282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.1455" />
+  <B value="-0.0018632" />
+  <Tmin units="K"  value="292.61" />
+  <Tmax units="K"  value="372.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4558" />
+  <B value="0.25237" />
+  <C value="869" />
+  <D value="0.24848" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="275.0593" />
+  <B value="-20918.1" />
+  <C value="-36.87097" />
+  <D value="0.0000193212" />
+  <E value="2" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.2455E+07" />
+  <B value="0.28979" />
+  <C value="1.1393" />
+  <D value="-1.9946" />
+  <E value="0.92537" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2147.6" />
+  <B value="1126" />
+  <C value="-5.164" />
+  <D value="0.018832" />
+  <E value="-0.000019443" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="300.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115950" />
+  <B value="-43.82" />
+  <C value="10.979" />
+  <D value="0.0042773" />
+  <E value="-0.0000023928" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66200" />
+  <B value="-509.49" />
+  <C value="13.435" />
+  <D value="-0.000075274" />
+  <E value="6.0366E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.5297" />
+  <B value="-840.06" />
+  <C value="-298.35" />
+  <D value="228040" />
+  <E value="-2652600" />
+  <Tmin units="K"  value="434.62" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.439" />
+  <B value="2565.4" />
+  <C value="1.5699" />
+  <D value="3.8655E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004717" />
+  <B value="0.52643" />
+  <C value="268.46" />
+  <D value="10947" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11683" />
+  <B value="-580.68" />
+  <C value="-0.62222" />
+  <D value="-0.006256" />
+  <E value="4.1638E-07" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092871" />
+  <B value="0.99317" />
+  <C value="671.87" />
+  <D value="29972" />
+  <Tmin units="K"  value="610.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035674" />
+  <B value="5.5102" />
+  <C value="-2.2869" />
+  <D value="-0.00066502" />
+  <E value="-6.3839E-07" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="869" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-62288" />
+  <B value="1031.8" />
+  <C value="-0.68956" />
+  <D value="0.00017028" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.518" />
+  <B value="6374.5" />
+  <C value="-31.508" />
+  <Tmin units="K"  value="521.65" />
+  <Tmax units="K"  value="764.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.0724" />
+  <B value="-0.027036" />
+  <C value="0.000019559" />
+  <Tmin units="K"  value="372.38" />
+  <Tmax units="K"  value="610.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.554142" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.328059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="251.6539" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.0273" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0735" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.11841" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.167078" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.562953" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.3356" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.54" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20142.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.167078" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="10" />
+  <group id="8"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="85-01-8" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="66" />
+<CompoundID name="Name"  value="N-tetradecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)12CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="693" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.894" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="526.76" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="279.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="279.01" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.252685" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="198.392" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.26132" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.644" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.427E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1501" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.044E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.3244E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.599E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="702590" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.507E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4596" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.73282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.6071" />
+  <B value="-1.9678E-17" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26297" />
+  <B value="0.23695" />
+  <C value="693" />
+  <D value="0.26861" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="141.7696" />
+  <B value="-13265.67" />
+  <C value="-17.07041" />
+  <D value="6.905252E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.216371E+08" />
+  <B value="1.28014" />
+  <C value="-0.352636" />
+  <D value="-1.241735" />
+  <E value="0.826459" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-49970" />
+  <B value="3309.6" />
+  <C value="-15.927" />
+  <D value="0.037566" />
+  <E value="-0.000014829" />
+  <Tmin units="K"  value="29.98" />
+  <Tmax units="K"  value="279.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84257" />
+  <B value="110.32" />
+  <C value="11.507" />
+  <D value="0.0033723" />
+  <E value="-0.0000011739" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="526.73" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="204940" />
+  <B value="-657.01" />
+  <C value="13.943" />
+  <D value="-0.00013248" />
+  <E value="4.0902E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3799" />
+  <B value="-326.59" />
+  <C value="-350.35" />
+  <D value="-74172" />
+  <E value="-110230" />
+  <Tmin units="K"  value="346.5" />
+  <Tmax units="K"  value="1913" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.61448" />
+  <B value="4567.43" />
+  <C value="11.25434" />
+  <D value="-0.0000111579" />
+  <E value="2" />
+  <Tmin units="K"  value="277.65" />
+  <Tmax units="K"  value="554.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4874E-09" />
+  <B value="1.2039" />
+  <C value="-69.467" />
+  <D value="11809" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.039135" />
+  <B value="-208.63" />
+  <C value="-0.066493" />
+  <D value="-0.005844" />
+  <E value="0.0000021711" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="526.73" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-122.4" />
+  <B value="0.86814" />
+  <C value="-5.5021E+08" />
+  <D value="-2.1347E+10" />
+  <Tmin units="K"  value="526.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044248" />
+  <B value="172.78" />
+  <C value="-4.4693" />
+  <D value="0.0037172" />
+  <E value="-0.0000079542" />
+  <Tmin units="K"  value="279.01" />
+  <Tmax units="K"  value="693" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="152780" />
+  <B value="54.751" />
+  <C value="2.6862" />
+  <D value="-0.0035472" />
+  <E value="0.0000013794" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.35" />
+  <B value="4247.1" />
+  <C value="-94.486" />
+  <Tmin units="K"  value="419.9" />
+  <Tmax units="K"  value="605.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.95817" />
+  <B value="-0.030978" />
+  <C value="0.000024066" />
+  <Tmin units="K"  value="277.65" />
+  <Tmax units="K"  value="554.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.90219" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.768391E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.0005" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.234049" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="291.9" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50737" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.103" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.762913" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.68207" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.261791" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="9.895" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="8.176001" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010085" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4459" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6399" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16200.36" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2613" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="12" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-59-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="67" />
+<CompoundID name="Name"  value="N-pentadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)13CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="708" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.966" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="543.83" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="283.072" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="283.072" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.128872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="212.419" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.27771" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.685" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="6.729E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1603" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.179E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.5311E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.426E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="741810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.459E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.48184" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.34237E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.3" />
+  <B value="8.5322E-17" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="292.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.26611" />
+  <B value="0.24483" />
+  <C value="708" />
+  <D value="0.29579" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="105.7905" />
+  <B value="-12176.19" />
+  <C value="-11.51031" />
+  <D value="2.157424E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="708" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.334182E+08" />
+  <B value="1.382258" />
+  <C value="-0.345375" />
+  <D value="-1.508041" />
+  <E value="0.995233" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-31815" />
+  <B value="2469.2" />
+  <C value="-1.2562" />
+  <D value="-0.049055" />
+  <E value="0.0001557" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="270.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44888" />
+  <B value="73.977" />
+  <C value="11.979" />
+  <D value="0.0027483" />
+  <E value="-9.4622E-07" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="218790" />
+  <B value="-655.87" />
+  <C value="14.013" />
+  <D value="-0.00013811" />
+  <E value="4.3573E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37154" />
+  <B value="-266.84" />
+  <C value="-432.43" />
+  <D value="-95870" />
+  <E value="-140270" />
+  <Tmin units="K"  value="353" />
+  <Tmax units="K"  value="1938" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-91.37005" />
+  <B value="4965.801" />
+  <C value="12.24551" />
+  <D value="-0.0000115231" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2252E-08" />
+  <B value="0.90575" />
+  <C value="168.22" />
+  <D value="3233.4" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010742" />
+  <B value="-152.75" />
+  <C value="-0.43594" />
+  <D value="-0.0040245" />
+  <E value="0.0000012373" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000047787" />
+  <B value="1.4851" />
+  <C value="642.9" />
+  <D value="182.7" />
+  <Tmin units="K"  value="543.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.070366" />
+  <B value="-47.05" />
+  <C value="-1.6737" />
+  <D value="-0.0019561" />
+  <E value="9.2369E-07" />
+  <Tmin units="K"  value="283.07" />
+  <Tmax units="K"  value="685.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="176100" />
+  <B value="-70.041" />
+  <C value="3.3232" />
+  <D value="-0.0044308" />
+  <E value="0.0000017861" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.805" />
+  <B value="4671.3" />
+  <C value="-88.708" />
+  <Tmin units="K"  value="434.49" />
+  <Tmax units="K"  value="633.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.8636" />
+  <B value="-0.035377" />
+  <C value="0.000030301" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="543.84" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.97724" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.007341E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.8762" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="312.42" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.11" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.770405" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.72539" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.277673" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="10.5694" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="8.716001" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.033625" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.6743" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16282.18" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2778" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="13" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-62-9" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="717" />
+<CompoundID name="Name"  value="Fluoranthene" />
+<StructureFormula name="Structure"  value="C16H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="905" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.655" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.227" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="655.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="383.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="383.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15.7016" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="202.251" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.184362" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.587526" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.357E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.6E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.126E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.889E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.862E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="418500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.873E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4356" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.695E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.1853" />
+  <B value="-3.0518E-09" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.34656" />
+  <B value="0.22699" />
+  <C value="905" />
+  <D value="0.28508" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="905" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.11781" />
+  <B value="-12362.08" />
+  <C value="-10.3511" />
+  <D value="0.0000032319" />
+  <E value="2" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.442678E+08" />
+  <B value="2.403711" />
+  <C value="-3.376173" />
+  <D value="1.404001" />
+  <E value="0.0327511" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10497" />
+  <B value="781.34" />
+  <C value="-1.5505" />
+  <D value="0.0075603" />
+  <E value="-0.0000095863" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="383.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="241580" />
+  <B value="1296.9" />
+  <C value="0.78013" />
+  <D value="0.023496" />
+  <E value="-0.000011773" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="59938" />
+  <B value="-461.32" />
+  <C value="13.513" />
+  <D value="-0.00005781" />
+  <E value="-5.6701E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-2.6301" />
+  <B value="2731" />
+  <C value="-1234.5" />
+  <D value="-125480" />
+  <E value="-2369300" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-68.502" />
+  <B value="5208.9" />
+  <C value="8.4007" />
+  <D value="-0.0000042979" />
+  <E value="2" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010875" />
+  <B value="0.41309" />
+  <C value="444.51" />
+  <D value="-25.424" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045864" />
+  <B value="-83.397" />
+  <C value="-0.96049" />
+  <D value="-0.0013219" />
+  <E value="-5.1355E-10" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011776" />
+  <B value="0.94788" />
+  <C value="660.84" />
+  <D value="38292" />
+  <Tmin units="K"  value="655.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081035" />
+  <B value="309.57" />
+  <C value="-4.4853" />
+  <D value="0.0031868" />
+  <E value="-0.0000043723" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="905" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-68523" />
+  <B value="1184.2" />
+  <C value="-0.82804" />
+  <D value="0.00021044" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.781" />
+  <B value="7232" />
+  <C value="-13.315" />
+  <Tmin units="K"  value="543.15" />
+  <Tmax units="K"  value="795.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.8909" />
+  <B value="-0.030333" />
+  <C value="0.000021268" />
+  <Tmin units="K"  value="383.33" />
+  <Tmax units="K"  value="655.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615194" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.603459E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.9585" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.239005" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="222.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4092" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0815" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.16484" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.5" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.184693" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.187871" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.504" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5027" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.5" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19277.2" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.184693" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="206-44-0" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="807" />
+<CompoundID name="Name"  value="Pyrene" />
+<StructureFormula name="Structure"  value="C16H10" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="936" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.66" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.221" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="667.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="423.81" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="423.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="70.0313" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="202.251" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.184923" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.507416" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.152E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.126E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.25E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.272E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.736E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.4078" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.63094E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.2841" />
+  <B value="7.4227E-17" />
+  <Tmin units="K"  value="295.85" />
+  <Tmax units="K"  value="305.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54272" />
+  <B value="0.27165" />
+  <C value="936" />
+  <D value="0.41522" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="909.04" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.91405" />
+  <B value="-11628.85" />
+  <C value="-6.184331" />
+  <D value="6.420723E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="936" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.198843E+07" />
+  <B value="-0.224752" />
+  <C value="1.989996" />
+  <D value="-2.139885" />
+  <E value="0.666532" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="909.04" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34428" />
+  <B value="193.16" />
+  <C value="2.988" />
+  <D value="-0.0075382" />
+  <E value="0.0000090005" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="423.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="149400" />
+  <B value="-94.468" />
+  <C value="11.128" />
+  <D value="0.0038746" />
+  <E value="-0.0000019128" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117680" />
+  <B value="-754.3" />
+  <C value="14.068" />
+  <D value="-0.00069165" />
+  <E value="2.0484E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.50411" />
+  <B value="-846.36" />
+  <C value="-528.72" />
+  <D value="-815460" />
+  <E value="-79126" />
+  <Tmin units="K"  value="468" />
+  <Tmax units="K"  value="1731" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-131.9" />
+  <B value="8597.1" />
+  <C value="17.746" />
+  <D value="-0.000010523" />
+  <E value="2" />
+  <Tmin units="K"  value="423.35" />
+  <Tmax units="K"  value="667.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4284E-07" />
+  <B value="0.52754" />
+  <C value="289.9" />
+  <D value="15025" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10165" />
+  <B value="-731.42" />
+  <C value="0.75712" />
+  <D value="-0.0079846" />
+  <E value="0.0000028317" />
+  <Tmin units="K"  value="288.65" />
+  <Tmax units="K"  value="550" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092503" />
+  <B value="0.97453" />
+  <C value="647.35" />
+  <D value="45503" />
+  <Tmin units="K"  value="667.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007329" />
+  <B value="346.59" />
+  <C value="-4.6696" />
+  <D value="0.0036569" />
+  <E value="-0.0000046813" />
+  <Tmin units="K"  value="423.81" />
+  <Tmax units="K"  value="909.04" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33015" />
+  <B value="969.84" />
+  <C value="-0.55466" />
+  <D value="0.00011137" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.723" />
+  <B value="6010.1" />
+  <C value="-76.729" />
+  <Tmin units="K"  value="573.15" />
+  <Tmax units="K"  value="833.56" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="2.0317" />
+  <B value="-0.026367" />
+  <C value="0.000016432" />
+  <Tmin units="K"  value="423.35" />
+  <Tmax units="K"  value="667.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615194" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.942347E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.6866" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.246034" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="222.6" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4079" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0807" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.27404" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.507416" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17368" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.187871" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.504" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.1204" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20762.5" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17368" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="10" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="129-00-0" />
+<Smiles name="SMILES"  value="C1=CC2=C3C(=C1)C=CC1=CC=CC(=C31)C=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="710" />
+<CompoundID name="Name"  value="1-phenylnaphthalene" />
+<StructureFormula name="Structure"  value="(C6H4)(C4H3)(C6H5)" />
+<Family name="Family"  value="19" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="849" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.656" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="607.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="318.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="318.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.282425" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="204.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.189925" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.530878" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.641E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1165" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.296E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.47E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.71108E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-7.92E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.3654" />
+  <B value="-3.9158E-09" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36822" />
+  <B value="0.24155" />
+  <C value="849" />
+  <D value="0.29048" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="849" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.2471" />
+  <B value="-14614.66" />
+  <C value="-16.02104" />
+  <D value="5.425361E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0967E+08" />
+  <B value="1.3201" />
+  <C value="-2.3901" />
+  <D value="2.4598" />
+  <E value="-0.96728" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5568.7" />
+  <B value="1416" />
+  <C value="-6.3534" />
+  <D value="0.022718" />
+  <E value="-0.000029424" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="318.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180260" />
+  <B value="-2.5213" />
+  <C value="10.037" />
+  <D value="0.0072742" />
+  <E value="-0.0000049656" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="607.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77509" />
+  <B value="-521.03" />
+  <C value="13.602" />
+  <D value="-0.000094316" />
+  <E value="9.2363E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.47323" />
+  <B value="-716.5" />
+  <C value="-343.69" />
+  <D value="-698990" />
+  <E value="1354800" />
+  <Tmin units="K"  value="424.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.144" />
+  <B value="1205.6" />
+  <C value="-0.56682" />
+  <D value="-0.0000005706" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="678.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000030793" />
+  <B value="0.30949" />
+  <C value="742.15" />
+  <D value="16342" />
+  <Tmin units="K"  value="607.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.052282" />
+  <B value="-21.251" />
+  <C value="-1.3126" />
+  <D value="-0.00073663" />
+  <E value="-3.6032E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="607.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092251" />
+  <B value="0.99676" />
+  <C value="619.05" />
+  <D value="42835" />
+  <Tmin units="K"  value="607.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092731" />
+  <B value="179.4" />
+  <C value="-3.7906" />
+  <D value="0.0020974" />
+  <E value="-0.0000040352" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="849" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-76343" />
+  <B value="1203.5" />
+  <C value="-0.80842" />
+  <D value="0.00020016" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.23" />
+  <B value="4746.4" />
+  <C value="-118.29" />
+  <Tmin units="K"  value="513.73" />
+  <Tmax units="K"  value="742.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-0.84135" />
+  <B value="-0.019285" />
+  <C value="0.000012308" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="678.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.664833" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.810728E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.4811" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="227.22" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0865" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.097" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.530878" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.189925" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.679631" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.184" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.530878" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19911.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.189925" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="12" />
+  <group id="10"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="12" />
+  <group id="11"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="12" />
+  <group id="10"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="605-02-7" />
+<Smiles name="SMILES"  value="c1(c2ccccc2)cccc2ccccc21" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="68" />
+<CompoundID name="Name"  value="N-hexadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)14CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="723" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.034" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.241" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="559.98" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.308" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.308" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0922432" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="226.446" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.29411" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.726" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.063E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16190" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1706" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.314E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.7417E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.216E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="781020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.3358E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.5924" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.95145E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.1175" />
+  <B value="-0.0038943" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="291.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.23237" />
+  <B value="0.23642" />
+  <C value="723" />
+  <D value="0.28403" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="138.0173" />
+  <B value="-14151.1" />
+  <C value="-16.24379" />
+  <D value="5.027608E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="288.95" />
+  <Tmax units="K"  value="723" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2775E+08" />
+  <B value="0.92612" />
+  <C value="0.52583" />
+  <D value="-2.1415" />
+  <E value="1.2039" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-53303" />
+  <B value="3589.2" />
+  <C value="-16.544" />
+  <D value="0.037386" />
+  <E value="-0.000012242" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="291.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="387360" />
+  <B value="-123.61" />
+  <C value="10.738" />
+  <D value="0.005" />
+  <E value="-0.0000019617" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="560.01" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="232700" />
+  <B value="-655.34" />
+  <C value="14.079" />
+  <D value="-0.0001451" />
+  <E value="4.6597E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.50464" />
+  <B value="-439.04" />
+  <C value="-445.03" />
+  <D value="-345290" />
+  <E value="480120" />
+  <Tmin units="K"  value="361" />
+  <Tmax units="K"  value="1981" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.70059" />
+  <B value="4841.907" />
+  <C value="11.15158" />
+  <D value="-9.617336E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="564.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3203E-07" />
+  <B value="0.72722" />
+  <C value="424.3" />
+  <D value="4562.7" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.006807" />
+  <B value="-152.97" />
+  <C value="-0.44096" />
+  <D value="-0.0038892" />
+  <E value="0.0000012245" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="560.01" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000035961" />
+  <B value="1.5118" />
+  <C value="510.88" />
+  <D value="23814" />
+  <Tmin units="K"  value="560.01" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0036644" />
+  <B value="220.16" />
+  <C value="-4.8209" />
+  <D value="0.0045419" />
+  <E value="-0.0000084745" />
+  <Tmin units="K"  value="291.31" />
+  <Tmax units="K"  value="723" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="417.3407" />
+  <B value="1457.374" />
+  <C value="-0.708733" />
+  <D value="0.0000535634" />
+  <E value="4.151662E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.891" />
+  <B value="4049.7" />
+  <C value="-127.22" />
+  <Tmin units="K"  value="438.29" />
+  <Tmax units="K"  value="632.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.725" />
+  <B value="-0.033627" />
+  <C value="0.000027668" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="564.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.067071" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.040714E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.3927" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.226854" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="332.94" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64299" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.116" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.775481" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.74714" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.294064" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="11.24" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="9.26" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002741" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5125" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.7078" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16343.54" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2941" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="14" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="544-76-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="806" />
+<CompoundID name="Name"  value="Chrysene" />
+<StructureFormula name="Structure"  value="C18H12" />
+<Family name="Family"  value="20" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="979" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2390000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.749" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.22" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="714.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="531.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="531.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1028.09" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="228.288" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.223221" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.603008" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.74E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.33E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.12516" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.326E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.698E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.03E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.62E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.6796E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.6375" />
+  <B value="-4.596E-09" />
+  <Tmin units="K"  value="389.35" />
+  <Tmax units="K"  value="398.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.30846" />
+  <B value="0.21991" />
+  <C value="979" />
+  <D value="0.32162" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="979" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="171.0845" />
+  <B value="-19845.5" />
+  <C value="-20.41887" />
+  <D value="4.689312E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2779E+08" />
+  <B value="0.96651" />
+  <C value="-1.3609" />
+  <D value="1.2985" />
+  <E value="-0.49651" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13800" />
+  <B value="1090" />
+  <C value="-0.4" />
+  <D value="6.6062E-09" />
+  <E value="-6.1574E-12" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="531.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="314190" />
+  <B value="239.97" />
+  <C value="9.0147" />
+  <D value="0.0068894" />
+  <E value="-0.0000035685" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124010" />
+  <B value="-668.94" />
+  <C value="14.001" />
+  <D value="-0.0004632" />
+  <E value="1.3177E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.58487" />
+  <B value="-948.55" />
+  <C value="-766.23" />
+  <D value="-2021000" />
+  <E value="1913400" />
+  <Tmin units="K"  value="489.5" />
+  <Tmax units="K"  value="1809.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.612" />
+  <B value="2823.3" />
+  <C value="-0.058693" />
+  <D value="2.8981E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="588.75" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4146E-07" />
+  <B value="0.54263" />
+  <C value="230.08" />
+  <D value="-3.8758" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032525" />
+  <B value="-322.45" />
+  <C value="-0.056163" />
+  <D value="-0.0034819" />
+  <E value="4.4935E-07" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001111" />
+  <B value="0.947" />
+  <C value="689.64" />
+  <D value="45041" />
+  <Tmin units="K"  value="714.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048828" />
+  <B value="1479.4" />
+  <C value="-10.166" />
+  <D value="0.012571" />
+  <E value="-0.0000093954" />
+  <Tmin units="K"  value="531.15" />
+  <Tmax units="K"  value="979" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-68216" />
+  <B value="1261.7" />
+  <C value="-0.82371" />
+  <D value="0.00019855" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.413" />
+  <B value="5704.7" />
+  <C value="-137.81" />
+  <Tmin units="K"  value="598.33" />
+  <Tmax units="K"  value="867.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="0.19518" />
+  <B value="-0.020395" />
+  <C value="0.000010474" />
+  <Tmin units="K"  value="588.75" />
+  <Tmax units="K"  value="714.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.724274" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.042713E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.4211" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237646" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="259.02" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0932" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.27729" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.603954" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.210334" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="8.250494" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.304" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.603954" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19486.9" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.210334" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="12" />
+  <group id="10"  value="6" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="12" />
+  <group id="8"  value="6" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="12" />
+  <group id="11"  value="6" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="12" />
+  <group id="10"  value="6" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="218-01-9" />
+<Smiles name="SMILES"  value="C1=CC2=C(C=C1)C=CC1=C2C=CC2=C1C=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="153" />
+<CompoundID name="Name"  value="Cis-decahydronaphthalene" />
+<StructureFormula name="Structure"  value="(CH2)4CHCH(CH2)4" />
+<Family name="Family"  value="8" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="702.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3242400" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="468.965" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.157166" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.294204" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.206E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17625.3" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09426" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.137E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.6924E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.552E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="377730" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9489000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93532" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.89213E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.97" />
+  <B value="-8.742E-09" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="239.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5563" />
+  <B value="0.26613" />
+  <C value="702.25" />
+  <D value="0.2872" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.51" />
+  <B value="-10671" />
+  <C value="-16.446" />
+  <D value="0.0000090618" />
+  <E value="2" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.893812E+07" />
+  <B value="1.120046" />
+  <C value="-0.590284" />
+  <D value="-0.648808" />
+  <E value="0.601197" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5463.3" />
+  <B value="610.38" />
+  <C value="3.7884" />
+  <D value="-0.041328" />
+  <E value="0.00011576" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="220" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="22875" />
+  <B value="183.22" />
+  <C value="9.7191" />
+  <D value="0.0080113" />
+  <E value="-0.0000053261" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90923" />
+  <B value="-788.66" />
+  <C value="14.021" />
+  <D value="-0.00046171" />
+  <E value="0.0000001235" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.037954" />
+  <B value="-145.9" />
+  <C value="-175.13" />
+  <D value="-52628" />
+  <E value="40101" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="693.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-102.87" />
+  <B value="5387.9" />
+  <C value="14.086" />
+  <D value="-0.000014127" />
+  <E value="2" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2745E-07" />
+  <B value="0.51364" />
+  <C value="404.18" />
+  <D value="49.274" />
+  <Tmin units="K"  value="468.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.087597" />
+  <B value="-101" />
+  <C value="-1.0253" />
+  <D value="-0.0090174" />
+  <E value="0.0000045064" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000017593" />
+  <B value="1.7742" />
+  <C value="317.62" />
+  <D value="37605" />
+  <Tmin units="K"  value="468.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0073102" />
+  <B value="159.63" />
+  <C value="-4.1152" />
+  <D value="0.0030369" />
+  <E value="-0.0000064896" />
+  <Tmin units="K"  value="230.2" />
+  <Tmax units="K"  value="702.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45272" />
+  <B value="665.72" />
+  <C value="0.42113" />
+  <D value="-0.00097745" />
+  <E value="4.2304E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.082" />
+  <B value="3127.3" />
+  <C value="-102.92" />
+  <Tmin units="K"  value="424.98" />
+  <Tmax units="K"  value="627.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="6.7247" />
+  <B value="-0.061114" />
+  <C value="0.000064934" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="468.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.52096" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.12599E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="395.2259" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264744" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="200.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.23541" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0321597" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.90094" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.294204" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154615" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.289" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00602" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.63311" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.294204" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17625.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154615" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="8" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="493-01-6" />
+<Smiles name="SMILES"  value="C1C[C@]2(CCCC[C@]2(CC1)([H]))([H])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="154" />
+<CompoundID name="Name"  value="Trans-decahydronaphthalene" />
+<StructureFormula name="Structure"  value="(CH2)4CHCH(CH2)4" />
+<Family name="Family"  value="8" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="687.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2837100" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="460.46" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="242.77" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="242.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.14983" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.253" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.159325" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253611" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17042.7" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09426" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.137E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.8217E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.355E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374550" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.441E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.92251" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.88088E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.68" />
+  <B value="-7.1526E-09" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="252.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5599" />
+  <B value="0.26991" />
+  <C value="687.05" />
+  <D value="0.2952" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="112.0059" />
+  <B value="-9619.314" />
+  <C value="-13.21808" />
+  <D value="6.974439E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.646155E+07" />
+  <B value="0.918445" />
+  <C value="0.395142" />
+  <D value="-2.202434" />
+  <E value="1.398354" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="248890" />
+  <B value="-17.544" />
+  <C value="0.10636" />
+  <D value="-0.00028659" />
+  <E value="2.8955E-07" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="252.29" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110470" />
+  <B value="-81.629" />
+  <C value="10.313" />
+  <D value="0.0068781" />
+  <E value="-0.0000045952" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81351" />
+  <B value="-707.34" />
+  <C value="13.793" />
+  <D value="-0.00018944" />
+  <E value="2.0365E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.02487" />
+  <B value="-133.31" />
+  <C value="-173.25" />
+  <D value="-48380" />
+  <E value="36572" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="673.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-47.21" />
+  <B value="3037.9" />
+  <C value="5.4682" />
+  <D value="-0.0000042842" />
+  <E value="2" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7061E-07" />
+  <B value="0.60485" />
+  <C value="153.09" />
+  <D value="81.09" />
+  <Tmin units="K"  value="460.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.087771" />
+  <B value="45.415" />
+  <C value="-2.1613" />
+  <D value="-0.0061939" />
+  <E value="0.0000022159" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-13.928" />
+  <B value="0.65448" />
+  <C value="-2837300" />
+  <D value="-2.043E+09" />
+  <Tmin units="K"  value="460.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0072992" />
+  <B value="137.99" />
+  <C value="-3.9696" />
+  <D value="0.0025043" />
+  <E value="-0.0000061602" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="687.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17918" />
+  <B value="447.75" />
+  <C value="1.0485" />
+  <D value="-0.0017445" />
+  <E value="7.5379E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.316" />
+  <B value="3335.5" />
+  <C value="-80.854" />
+  <Tmin units="K"  value="413.15" />
+  <Tmax units="K"  value="616.9" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="3.8573" />
+  <B value="-0.048752" />
+  <C value="0.000050406" />
+  <Tmin units="K"  value="242.79" />
+  <Tmax units="K"  value="460.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.52096" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.180246E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="255.6104" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268306" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="200.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.23673" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0652" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.87461" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.253611" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.159325" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.289" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.776" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.011339" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.61125" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253611" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17042.7" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.159325" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="8" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="8" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="493-02-7" />
+<Smiles name="SMILES"  value="C1C[C@@]2(CCCC[C@]2(CC1)([H]))([H])" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1405" />
+<CompoundID name="Name"  value="Methyl tert-butyl ether" />
+<StructureFormula name="Structure"  value="CH3OC(CH3)3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3430000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="328.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.535656" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.119887" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.266059" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.179E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06171" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.08E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.835E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.175E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="357800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7600000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88771" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.1049E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.4" />
+  <B value="-0.0084317" />
+  <Tmin units="K"  value="65.82" />
+  <Tmax units="K"  value="164.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.013" />
+  <B value="0.29119" />
+  <C value="513.95" />
+  <D value="0.39929" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="513.94" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.31041" />
+  <B value="-5322.676" />
+  <C value="-6.212745" />
+  <D value="3.951136E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.685222E+07" />
+  <B value="4.561833" />
+  <C value="-12.06881" />
+  <D value="13.61234" />
+  <E value="-5.569118" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11840" />
+  <B value="1396" />
+  <C value="-5.8523" />
+  <D value="-0.0092711" />
+  <E value="0.00016154" />
+  <Tmin units="K"  value="11.5" />
+  <Tmax units="K"  value="164.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135550" />
+  <B value="-54.229" />
+  <C value="8.6558" />
+  <D value="0.010329" />
+  <E value="-0.0000078206" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="328.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89729" />
+  <B value="-682.14" />
+  <C value="12.912" />
+  <D value="0.000021441" />
+  <E value="-2.0192E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18862" />
+  <B value="-199.25" />
+  <C value="-24.367" />
+  <D value="-1558.5" />
+  <E value="1368.5" />
+  <Tmin units="K"  value="248.6" />
+  <Tmax units="K"  value="1809.6" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.136" />
+  <B value="821.59" />
+  <C value="-0.64419" />
+  <D value="4.8322E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="449.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6185E-07" />
+  <B value="0.73614" />
+  <C value="130.03" />
+  <D value="-727.78" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.073008" />
+  <B value="306.73" />
+  <C value="-6.3111" />
+  <D value="0.019235" />
+  <E value="-0.000037933" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="460.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023034" />
+  <B value="0.92128" />
+  <C value="391.6" />
+  <D value="80274" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.032821" />
+  <B value="-29.327" />
+  <C value="-1.9813" />
+  <D value="-0.0032789" />
+  <E value="0.0000010144" />
+  <Tmin units="K"  value="164.55" />
+  <Tmax units="K"  value="497.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17448" />
+  <B value="439.33" />
+  <C value="-0.18821" />
+  <D value="0.000026432" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.427" />
+  <B value="2381.9" />
+  <C value="-60.58" />
+  <Tmin units="K"  value="299.35" />
+  <Tmax units="K"  value="444.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="-1.2431" />
+  <B value="-0.0329" />
+  <C value="0.000034374" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="449.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.330153" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.11761E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.0697" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267213" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.07186" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0447" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.745835" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.266059" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119887" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0678" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.632" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.956082" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.053074" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.32865" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.266059" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.119887" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1634-04-4" />
+<Smiles name="SMILES"  value="COC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1427" />
+<CompoundID name="Name"  value="Methyl tert-pentyl ether" />
+<StructureFormula name="Structure"  value="CH3OC(CH3)2CH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="534" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.386" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="359.51" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.133437" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.298071" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.465E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.90339E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.043E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.054E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.137E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="408000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0449" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.71229E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.1" />
+  <B value="-6.0195E-16" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.68843" />
+  <B value="0.26574" />
+  <C value="534" />
+  <D value="0.27067" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.09" />
+  <B value="-8433.7" />
+  <C value="-15.94" />
+  <D value="0.000013112" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.112039E+07" />
+  <B value="2.144847" />
+  <C value="-4.987322" />
+  <D value="5.569725" />
+  <E value="-2.294462" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="184600" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96936" />
+  <B value="-844.6" />
+  <C value="17.426" />
+  <D value="-0.01423" />
+  <E value="0.000014683" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86134" />
+  <B value="-503.3" />
+  <C value="12.828" />
+  <D value="0.00026316" />
+  <E value="-9.3404E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24596" />
+  <B value="-275.48" />
+  <C value="-36.668" />
+  <D value="-851.22" />
+  <E value="-5476.3" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="1947" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.271" />
+  <B value="991.37" />
+  <C value="-0.019082" />
+  <D value="-2.1664E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="359.51" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.9893E-08" />
+  <B value="0.83491" />
+  <C value="61.227" />
+  <D value="-3034.8" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10613" />
+  <B value="12.391" />
+  <C value="-1.3082" />
+  <D value="-0.00026248" />
+  <E value="-0.0000013654" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="425" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.12493" />
+  <B value="0.14978" />
+  <C value="1706.4" />
+  <D value="1349200" />
+  <Tmin units="K"  value="359.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083071" />
+  <B value="83.854" />
+  <C value="-3.8901" />
+  <D value="0.003534" />
+  <E value="-0.000010373" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3885.8" />
+  <B value="620.93" />
+  <C value="-0.34528" />
+  <D value="0.000073697" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.355" />
+  <B value="3194.9" />
+  <C value="-35.861" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="534" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="1.2135" />
+  <B value="-0.051268" />
+  <C value="0.000067114" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="359.51" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.717114E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264404" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.84722" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0516" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.77448" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.298071" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133437" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7422" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.172" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.905443" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010549" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.7281" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.298071" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133437" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="994-05-8" />
+<Smiles name="SMILES"  value="COC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1111" />
+<CompoundID name="Name"  value="2-methyl-2-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="545" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3790000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.323" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="264.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="264.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="161.196" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1095" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.478" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06261" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.17E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.297E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.652E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="362800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4456000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78274" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0391E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.041" />
+  <B value="-0.0051748" />
+  <Tmin units="K"  value="105.74" />
+  <Tmax units="K"  value="264.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.71131" />
+  <B value="0.24603" />
+  <C value="545" />
+  <D value="0.25077" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="529" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="111.96" />
+  <B value="-9620.4" />
+  <C value="-12.673" />
+  <D value="0.0000022964" />
+  <E value="2" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.022286E+08" />
+  <B value="1.245977" />
+  <C value="-0.515176" />
+  <D value="-0.350588" />
+  <E value="0.262112" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3330500" />
+  <B value="79184" />
+  <C value="-676.61" />
+  <D value="2.5428" />
+  <E value="-0.0035268" />
+  <Tmin units="K"  value="152.5" />
+  <Tmax units="K"  value="214.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145240" />
+  <B value="-80.948" />
+  <C value="10.283" />
+  <D value="0.0042992" />
+  <E value="0.0000021924" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="375.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74328" />
+  <B value="-529.61" />
+  <C value="12.79" />
+  <D value="0.000073612" />
+  <E value="-9.0525E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2317" />
+  <B value="-245.23" />
+  <C value="-25.84" />
+  <D value="30078" />
+  <E value="-127780" />
+  <Tmin units="K"  value="271.85" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-783.84" />
+  <B value="31606" />
+  <C value="120.39" />
+  <D value="-0.00015466" />
+  <E value="2" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="434.96" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8945E-07" />
+  <B value="0.71394" />
+  <C value="173.97" />
+  <D value="-1855.4" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.052544" />
+  <B value="-120.78" />
+  <C value="-0.20746" />
+  <D value="-0.0081579" />
+  <E value="0.0000039201" />
+  <Tmin units="K"  value="163.55" />
+  <Tmax units="K"  value="433.55" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1156.2" />
+  <B value="0.93842" />
+  <C value="5.9829E+09" />
+  <D value="-1.5337E+11" />
+  <Tmin units="K"  value="375.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.004975" />
+  <B value="709.64" />
+  <C value="-10.143" />
+  <D value="0.02288" />
+  <E value="-0.000029901" />
+  <Tmin units="K"  value="264.35" />
+  <Tmax units="K"  value="543.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="35603" />
+  <B value="226.55" />
+  <C value="0.55283" />
+  <D value="-0.00088824" />
+  <E value="3.7199E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.923" />
+  <B value="2458.2" />
+  <C value="-113.51" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="484.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="13" />
+  <A value="19.92" />
+  <B value="-0.12833" />
+  <C value="0.0001442" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="434.96" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.161351E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.315" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248616" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.08387" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0428" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.478" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1095" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5972" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.284" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.0988" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.478" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1095" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-85-4" />
+<Smiles name="SMILES"  value="CCC(C)(C)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="904" />
+<CompoundID name="Name"  value="Nitrogen trioxide" />
+<StructureFormula name="Structure"  value="O2NNO" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="451" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6990000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.195" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.386" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="276.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="172.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="15.1767" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.0116" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0531885" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.431227" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.346E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="32600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.078E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.026378" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.407E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="8.2843E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.39727E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-8.2843E+07" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="23.709" />
+  <B value="-0.0033974" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="20.15" />
+  <Tmax units="K"  value="170" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.7664" />
+  <B value="0.37489" />
+  <C value="451" />
+  <D value="0.040027" />
+  <E value="0" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="275.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.96" />
+  <B value="-7584.5" />
+  <C value="-17.9" />
+  <D value="0.000022014" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="425" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1243E+07" />
+  <B value="0.17457" />
+  <C value="-0.20195" />
+  <D value="-0.16172" />
+  <E value="0.24757" />
+  <Tmin units="K"  value="246" />
+  <Tmax units="K"  value="255.5" />
+  </HeatOfVaporization>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37365" />
+  <B value="-232.94" />
+  <C value="10.977" />
+  <D value="0.00031169" />
+  <E value="-1.1931E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-3.7052E-07" />
+  <B value="2.2773E-08" />
+  <Tmin units="K"  value="276.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29751" />
+  <B value="158.25" />
+  <C value="-0.13576" />
+  <D value="0.000041065" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.203" />
+  <B value="2466.4" />
+  <C value="-44.307" />
+  <Tmin units="K"  value="272" />
+  <Tmax units="K"  value="399.5" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.139908" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.391187E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="956.7623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.386" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0111154" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.431227" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0531885" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.738827" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.7628" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.431227" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="32600" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0531885" />
+<CAS name="CAS number"  value="10544-73-7" />
+<Smiles name="SMILES"  value="O=N(=O)N=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="906" />
+<CompoundID name="Name"  value="Nitrogen tetroxide" />
+<StructureFormula name="Structure"  value="O2NNO2" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="431.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1.00312E+07" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.08249" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.233" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="294.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="261.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="18558.7" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.011" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06407" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.853274" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.918E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24123.32" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03008" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.96E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9162960" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.785E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304320" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.465E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.29223" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="1983170" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.508" />
+  <B value="-2.416E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="87.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.117" />
+  <B value="0.32671" />
+  <C value="431.15" />
+  <D value="0.20832" />
+  <Tmin units="K"  value="261.9" />
+  <Tmax units="K"  value="343.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.419" />
+  <B value="-5432" />
+  <C value="-7.7259" />
+  <D value="0.00001711" />
+  <E value="2" />
+  <Tmin units="K"  value="252.77" />
+  <Tmax units="K"  value="431.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0678E+07" />
+  <B value="0.17744" />
+  <C value="-0.16521" />
+  <D value="-0.11792" />
+  <E value="0.13193" />
+  <Tmin units="K"  value="294.25" />
+  <Tmax units="K"  value="303.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10482" />
+  <B value="1238.4" />
+  <C value="-7.4993" />
+  <D value="0.025528" />
+  <E value="-0.000031204" />
+  <Tmin units="K"  value="30.18" />
+  <Tmax units="K"  value="300" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="112080" />
+  <B value="15.081" />
+  <C value="5.5387" />
+  <D value="0.025083" />
+  <E value="-0.000030338" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39950.82" />
+  <B value="-260.1236" />
+  <C value="11.41281" />
+  <D value="0.000224817" />
+  <E value="-1.049284E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-340.1" />
+  <B value="10957" />
+  <C value="53.641" />
+  <D value="-0.00011365" />
+  <E value="2" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000080298" />
+  <B value="0.2905" />
+  <C value="212.56" />
+  <D value="117290" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11499" />
+  <B value="26916" />
+  <C value="-297.75" />
+  <D value="1.089" />
+  <E value="-0.0013592" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="400" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019664" />
+  <B value="1.1277" />
+  <C value="265.48" />
+  <D value="-210280" />
+  <Tmin units="K"  value="380" />
+  <Tmax units="K"  value="400" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28036" />
+  <B value="221.65" />
+  <C value="-0.18724" />
+  <D value="0.000054692" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.96278" />
+  <B value="-1250" />
+  <C value="-7.5" />
+  <Tmin units="K"  value="268.5945" />
+  <Tmax units="K"  value="438.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.91" />
+  <B value="5073.2" />
+  <C value="35.325" />
+  <Tmin units="K"  value="263.15" />
+  <Tmax units="K"  value="386.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4749" />
+  <B value="-0.014594" />
+  <Tmin units="K"  value="261" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.159449" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665358E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="148.6014" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.233" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-4.24638" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00859559" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.46343" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.853274" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.06407" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.982861" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.984" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.80727" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.853274" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24123.32" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.06407" />
+<CAS name="CAS number"  value="10544-72-6" />
+<Smiles name="SMILES"  value="O=N(=O)N(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="913" />
+<CompoundID name="Name"  value="Helium-4" />
+<StructureFormula name="Structure"  value="He" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="5.19" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="227000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0573" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.301" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="4.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="1.763" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="1.763" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1478.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="4.003" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03254" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="-0.39" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="1222" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.00692" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.48E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="126044" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="50000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="-0.1555" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="47.969" />
+  <B value="7.3751E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="1.73" />
+  <Tmax units="K"  value="11.23" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.31844" />
+  <B value="0.089499" />
+  <C value="5.21" />
+  <D value="0.063807" />
+  <Tmin units="K"  value="1.2" />
+  <Tmax units="K"  value="5.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="8.8804" />
+  <B value="-4.8932" />
+  <C value="2.5648" />
+  <D value="0.0062779" />
+  <E value="2" />
+  <Tmin units="K"  value="1.4" />
+  <Tmax units="K"  value="11.26" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="191120" />
+  <B value="4.6881" />
+  <C value="-12.652" />
+  <D value="12.947" />
+  <E value="-4.5859" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="5.18" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-72432" />
+  <B value="14.864" />
+  <C value="0.90909" />
+  <D value="1.9106" />
+  <E value="-0.057997" />
+  <Tmin units="K"  value="3.7" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="1" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.016091" />
+  <B value="-0.3836" />
+  <C value="-3.2519E-07" />
+  <D value="3.3839E-14" />
+  <E value="-6.7038E-16" />
+  <Tmin units="K"  value="2" />
+  <Tmax units="K"  value="150" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-21.436" />
+  <B value="10.949" />
+  <C value="5.7389" />
+  <D value="-0.11646" />
+  <E value="2" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.3098E-07" />
+  <B value="0.71183" />
+  <C value="-10.485" />
+  <D value="126.3" />
+  <Tmin units="K"  value="14.4" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.19278" />
+  <B value="-0.8853" />
+  <C value="-0.83633" />
+  <D value="-0.19115" />
+  <E value="0.016867" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00226" />
+  <B value="0.7305" />
+  <C value="-18.63" />
+  <D value="440" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00015359" />
+  <B value="-20.248" />
+  <C value="20.138" />
+  <D value="-11.865" />
+  <E value="1.2499" />
+  <Tmin units="K"  value="1.25" />
+  <Tmax units="K"  value="4.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="20786" />
+  <B value="7.6827E-14" />
+  <C value="-1.6203E-16" />
+  <D value="2.6645E-20" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="1" />
+  <A value="1.055" />
+  <Tmin units="K"  value="1" />
+  <Tmax units="K"  value="1500" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="15.213" />
+  <B value="15.497" />
+  <C value="-0.0068635" />
+  <Tmin units="K"  value="3.15" />
+  <Tmax units="K"  value="4.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="0" />
+  <B value="0" />
+  <Tmin units="K"  value="2.2" />
+  <Tmax units="K"  value="11.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.037046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.038669E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="4.496969" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.301" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="2.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00399858" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.124064" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.39" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.03254" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.456163" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.592" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="-0.39" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="1222" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.03254" />
+<GCmethod name="PPR78" >
+  <group id="23"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="200"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-59-7" />
+<Smiles name="SMILES"  value="[He]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="917" />
+<CompoundID name="Name"  value="Fluorine" />
+<StructureFormula name="Structure"  value="F2" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="144.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5215000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0662" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="84.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="53.53" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="53.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="252" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="37.997" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.02516" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.051" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.081E-11" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0142" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.5E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="202690" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="510360" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.57194" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="54.682" />
+  <B value="-0.11345" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="23" />
+  <Tmax units="K"  value="53.48" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.7003" />
+  <B value="0.23171" />
+  <C value="144.42" />
+  <D value="0.21541" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.41" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="19.18299" />
+  <B value="-840.6862" />
+  <C value="0.560464" />
+  <D value="-0.0000352006" />
+  <E value="2" />
+  <Tmin units="K"  value="53.45" />
+  <Tmax units="K"  value="144.41" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7497E+07" />
+  <B value="7.2112" />
+  <C value="-17.699" />
+  <D value="17.895" />
+  <E value="-6.7781" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.41" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25122" />
+  <B value="3384" />
+  <C value="-116.81" />
+  <D value="2.5952" />
+  <E value="-0.020438" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="53.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56031" />
+  <B value="-8382.1" />
+  <C value="267.49" />
+  <D value="-2.7228" />
+  <E value="0.0096889" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="110" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29021.05" />
+  <B value="-721.5995" />
+  <C value="10.44015" />
+  <D value="-0.00105401" />
+  <E value="3.331903E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.03545" />
+  <B value="-12.768" />
+  <C value="-0.0732" />
+  <D value="0.032456" />
+  <E value="-0.023131" />
+  <Tmin units="K"  value="79.37" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="9.2895" />
+  <B value="-86.903" />
+  <C value="-3.7445" />
+  <D value="0.0000058477" />
+  <E value="2" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="140" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0875E-07" />
+  <B value="0.64956" />
+  <C value="73.747" />
+  <D value="-637.02" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15422" />
+  <B value="9.0003" />
+  <C value="-1.0608" />
+  <D value="-0.0018487" />
+  <E value="-0.00001682" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="130" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00012664" />
+  <B value="0.93229" />
+  <C value="1.6645" />
+  <D value="205.53" />
+  <Tmin units="K"  value="70" />
+  <Tmax units="K"  value="700" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0023955" />
+  <B value="117.16" />
+  <C value="-8.211" />
+  <D value="0.06394" />
+  <E value="-0.00037668" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="144.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27829" />
+  <B value="3.8829" />
+  <C value="0.043734" />
+  <D value="-0.000066017" />
+  <E value="2.7438E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.897" />
+  <B value="777.75" />
+  <C value="-1.967" />
+  <Tmin units="K"  value="86.6" />
+  <Tmax units="K"  value="129.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.905" />
+  <B value="-0.027953" />
+  <Tmin units="K"  value="53.48" />
+  <Tmax units="K"  value="140" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0756619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.361966E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="106.6577" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.288" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="29.4" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.00883306" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.5" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.051" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.02516" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="0.75" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="0.88" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.051" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.02516" />
+<Umr name="UMR" >
+  <group id="206"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7782-41-4" />
+<Smiles name="SMILES"  value="FF" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="920" />
+<CompoundID name="Name"  value="Krypton" />
+<StructureFormula name="Structure"  value="Kr" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="209.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0912" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.288" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="119.74" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="115.77" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="115.78" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="73149.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="83.8" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.03463" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.005" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15280" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="163975" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1640130" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.47685" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="33.723" />
+  <B value="-1.7802E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="125.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.5742" />
+  <B value="0.26395" />
+  <C value="209.4" />
+  <D value="0.25018" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="209.39" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="48.208" />
+  <B value="-1609" />
+  <C value="-4.9593" />
+  <D value="0.0000342" />
+  <E value="2" />
+  <Tmin units="K"  value="109.95" />
+  <Tmax units="K"  value="209.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.7515E+07" />
+  <B value="2.6595" />
+  <C value="-6.0031" />
+  <D value="6.068" />
+  <E value="-2.2776" />
+  <Tmin units="K"  value="115.76" />
+  <Tmax units="K"  value="209.39" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36193" />
+  <B value="105.13" />
+  <C value="3.9876" />
+  <D value="0.048456" />
+  <E value="-0.0001134" />
+  <Tmin units="K"  value="115.78" />
+  <Tmax units="K"  value="125.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20754" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.047877" />
+  <B value="-27.168" />
+  <C value="-0.22682" />
+  <D value="-0.035005" />
+  <E value="0.047036" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1073.15" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7422" />
+  <B value="-0.3975" />
+  <C value="-0.00054036" />
+  <D value="-9.2221E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="119.75" />
+  <Tmax units="K"  value="129.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018282" />
+  <B value="0.5384" />
+  <C value="165.83" />
+  <D value="-1432.5" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22624" />
+  <B value="-10.133" />
+  <C value="-0.77044" />
+  <D value="-0.0023081" />
+  <E value="-0.0000013009" />
+  <Tmin units="K"  value="115" />
+  <Tmax units="K"  value="209.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00075369" />
+  <B value="0.52925" />
+  <C value="198.58" />
+  <D value="-4150.2" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="2000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0038578" />
+  <B value="222.03" />
+  <C value="-8.5239" />
+  <D value="0.041178" />
+  <E value="-0.00015364" />
+  <Tmin units="K"  value="115.78" />
+  <Tmax units="K"  value="209.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.332" />
+  <B value="977.58" />
+  <C value="-8.874" />
+  <Tmin units="K"  value="125.94" />
+  <Tmax units="K"  value="184.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-7.7494" />
+  <B value="-1.046E-09" />
+  <Tmin units="K"  value="119.75" />
+  <Tmax units="K"  value="129.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0912" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="3.740867E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="154.7757" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.288" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="24.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0123743" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.42087" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.03463" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.12" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.12" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.005" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15280" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.03463" />
+<Umr name="UMR" >
+  <group id="203"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7439-90-9" />
+<Smiles name="SMILES"  value="[Kr]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="959" />
+<CompoundID name="Name"  value="Xenon" />
+<StructureFormula name="Structure"  value="Xe" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="289.74" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.118" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.286" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="165.01" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="81667.9" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="131.29" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.04291" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.006" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="0" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15910" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="0" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="0" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="169578" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2294950" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.48315" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="0" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="26.963" />
+  <B value="-2.7339E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="170.86" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.4063" />
+  <B value="0.28552" />
+  <C value="289.74" />
+  <D value="0.28967" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="31.497" />
+  <B value="-1758.9" />
+  <C value="-1.8727" />
+  <D value="0.0000091652" />
+  <E value="2" />
+  <Tmin units="K"  value="155.55" />
+  <Tmax units="K"  value="290" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.740633E+07" />
+  <B value="-0.233725" />
+  <C value="3.148357" />
+  <D value="-4.995262" />
+  <E value="2.477111" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="44610" />
+  <B value="-221" />
+  <C value="1.0811" />
+  <D value="0.026515" />
+  <E value="-0.000013257" />
+  <Tmin units="K"  value="163.15" />
+  <Tmax units="K"  value="172.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.065789" />
+  <B value="-49.796" />
+  <C value="-0.7443" />
+  <D value="-0.092289" />
+  <E value="0.83555" />
+  <Tmin units="K"  value="144.87" />
+  <Tmax units="K"  value="1448.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7421" />
+  <B value="-0.53776" />
+  <C value="-0.00050184" />
+  <D value="-5.2934E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="165.02" />
+  <Tmax units="K"  value="174.52" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000014055" />
+  <B value="0.57778" />
+  <C value="188.46" />
+  <D value="-312.26" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1773.15" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012175" />
+  <B value="143.58" />
+  <C value="-4.2655" />
+  <D value="0.011041" />
+  <E value="-0.000032937" />
+  <Tmin units="K"  value="145.9" />
+  <Tmax units="K"  value="270" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00026719" />
+  <B value="0.62046" />
+  <C value="215.6" />
+  <D value="-8144.4" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0032828" />
+  <B value="498.28" />
+  <C value="-11.457" />
+  <D value="0.046655" />
+  <E value="-0.00011349" />
+  <Tmin units="K"  value="161.36" />
+  <Tmax units="K"  value="289.74" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="20786" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.626" />
+  <B value="1889.6" />
+  <C value="22.713" />
+  <Tmin units="K"  value="174.87" />
+  <Tmax units="K"  value="260" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-7.7494" />
+  <B value="-6.6574E-10" />
+  <Tmin units="K"  value="165.02" />
+  <Tmax units="K"  value="174.52" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.118" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.110548E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="208.8524" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.286" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="32.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0164353" />
+<SpecificGravity name="Specific gravity"  units="_"  value="2.95262" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.006" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.04291" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.13" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.13" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.006" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15910" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.04291" />
+<Umr name="UMR" >
+  <group id="204"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="7440-63-3" />
+<Smiles name="SMILES"  value="[Xe]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="924" />
+<CompoundID name="Name"  value="Ozone" />
+<StructureFormula name="Structure"  value="O3" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="261.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5570000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.0894" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="161.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="22.1499" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="80.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.734621" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="47.998" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0354" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.224" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.544E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.016687" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.175E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.431E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.63164E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="238823" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.755282" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.42671E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="36.026" />
+  <B value="-0.000044231" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="77.15" />
+  <Tmax units="K"  value="86.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.6432" />
+  <B value="0.26544" />
+  <C value="261.05" />
+  <D value="0.25239" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="261" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="33.80011" />
+  <B value="-2066.264" />
+  <C value="-1.865143" />
+  <D value="3.696996E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="261" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.6254E+07" />
+  <B value="-0.073447" />
+  <C value="0.14823" />
+  <D value="0.62225" />
+  <E value="-0.43277" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="261" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="40260" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="261.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64500" />
+  <B value="-60.205" />
+  <C value="9.9787" />
+  <D value="0.0080434" />
+  <E value="-0.000010929" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="150" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32859.57" />
+  <B value="-604.7407" />
+  <C value="10.91207" />
+  <D value="-0.000287995" />
+  <E value="2.632407E-08" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.062399" />
+  <B value="-35.678" />
+  <C value="-1.1646" />
+  <D value="22.22" />
+  <E value="-31.557" />
+  <Tmin units="K"  value="130.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.036" />
+  <B value="815.78" />
+  <C value="4.8971" />
+  <D value="-0.000047646" />
+  <E value="2" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="208.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001896" />
+  <B value="0.78539" />
+  <C value="36.908" />
+  <D value="-2041.9" />
+  <Tmin units="K"  value="80.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.23255" />
+  <B value="-678.09" />
+  <C value="-6.5705" />
+  <D value="-0.074977" />
+  <E value="0.00025391" />
+  <Tmin units="K"  value="77.35" />
+  <Tmax units="K"  value="161.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0043907" />
+  <B value="0.47832" />
+  <C value="709.48" />
+  <D value="233.72" />
+  <Tmin units="K"  value="161.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0083875" />
+  <B value="70.417" />
+  <C value="-4.4511" />
+  <D value="0.011555" />
+  <E value="-0.000053029" />
+  <Tmin units="K"  value="77.2" />
+  <Tmax units="K"  value="261" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34139" />
+  <B value="-31.67" />
+  <C value="0.26033" />
+  <D value="-0.00035752" />
+  <E value="1.5074E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.205" />
+  <B value="1378.5" />
+  <C value="-19.313" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="232.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.661" />
+  <B value="-0.027987" />
+  <Tmin units="K"  value="77.55" />
+  <Tmax units="K"  value="208.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.0888007" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.892771E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="84.53657" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="18.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0135255" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.25782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.224" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0354" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.1" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.27" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.224" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0354" />
+<Umr name="UMR" >
+  <group id="211"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="10028-15-6" />
+<Smiles name="SMILES"  value="O=[O+][O-]" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1893" />
+<CompoundID name="Name"  value="Carbonyl sulfide" />
+<StructureFormula name="Structure"  value="OCS" />
+<Family name="Family"  value="24" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="375.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6349000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.14" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="223.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="134.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="134.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="101.325" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.0751" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0510474" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.137779" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.176E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14270" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0259" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.05247E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3841E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.692E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="231470" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4725000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.7" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.4827E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.192" />
+  <B value="-0.022652" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.72" />
+  <Tmax units="K"  value="134.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8896" />
+  <B value="0.27226" />
+  <C value="378.81" />
+  <D value="0.25315" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.34266" />
+  <B value="-3813.497" />
+  <C value="-8.620386" />
+  <D value="0.0000180431" />
+  <E value="2" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.0555E+07" />
+  <B value="0.84937" />
+  <C value="-0.32129" />
+  <D value="-0.52716" />
+  <E value="0.40226" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="365.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16418" />
+  <B value="1744.6" />
+  <C value="-20.143" />
+  <D value="0.10176" />
+  <E value="-0.00014754" />
+  <Tmin units="K"  value="15.53" />
+  <Tmax units="K"  value="131.07" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71808" />
+  <B value="-8528.4" />
+  <C value="73.159" />
+  <D value="-0.16854" />
+  <E value="0.00016953" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="378" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="28351" />
+  <B value="-363.89" />
+  <C value="10.752" />
+  <D value="-0.00019902" />
+  <E value="7.0945E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.07781" />
+  <B value="-70.275" />
+  <C value="-3.5992" />
+  <D value="374.85" />
+  <E value="-723.14" />
+  <Tmin units="K"  value="189.4" />
+  <Tmax units="K"  value="1889.4" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.091" />
+  <B value="494.42" />
+  <C value="-0.20653" />
+  <D value="-6.4588E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000010184" />
+  <B value="0.2938" />
+  <C value="1012.7" />
+  <D value="-12250" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.032218" />
+  <B value="-41.011" />
+  <C value="-0.83624" />
+  <D value="-0.0051268" />
+  <E value="0.0000012154" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0012701" />
+  <B value="0.60437" />
+  <C value="545.23" />
+  <D value="3627.6" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0021071" />
+  <B value="518.04" />
+  <C value="-11.034" />
+  <D value="0.04165" />
+  <E value="-0.000087273" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="365.93" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21713" />
+  <B value="84.752" />
+  <C value="-0.070005" />
+  <D value="0.000020554" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.073" />
+  <B value="1954.8" />
+  <C value="-19.521" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="333.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2041" />
+  <B value="-0.017582" />
+  <Tmin units="K"  value="134.3" />
+  <Tmax units="K"  value="223" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.137387" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.621734E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="225.718" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="44.91" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0194842" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.24" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.096" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0510474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.707317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.620988" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.59245" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.02642" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.096" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14270" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0510474" />
+<GCmethod name="PPR78" >
+  <group id="227"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="227"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="463-58-1" />
+<Smiles name="SMILES"  value="O=C=S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1940" />
+<CompoundID name="Name"  value="Sulfur hexafluoride" />
+<StructureFormula name="Structure"  value="SF6" />
+<Family name="Family"  value="55" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="318.72" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3760000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.1984" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.282" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="209.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="222.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="232670" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="146.056" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.07981" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.208" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="7681" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0468" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.2E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.209E+09" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.1053E+09" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="291710" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5024200" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93506" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="9.24E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.46" />
+  <B value="-3.8147E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="191.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0016" />
+  <B value="0.23435" />
+  <C value="318.74" />
+  <D value="0.24027" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.73" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-17.60907" />
+  <B value="-1028.369" />
+  <C value="6.556299" />
+  <D value="-0.0000178874" />
+  <E value="2" />
+  <Tmin units="K"  value="215.15" />
+  <Tmax units="K"  value="318.69" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0769E+07" />
+  <B value="8.5605" />
+  <C value="-25.709" />
+  <D value="29.437" />
+  <E value="-11.774" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15357" />
+  <B value="2400" />
+  <C value="-27.232" />
+  <D value="0.044332" />
+  <E value="0.00082624" />
+  <Tmin units="K"  value="7.97" />
+  <Tmax units="K"  value="96.24" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119500" />
+  <B value="-2040" />
+  <C value="-9.5251" />
+  <D value="0.005216" />
+  <E value="-0.000044691" />
+  <Tmin units="K"  value="230.15" />
+  <Tmax units="K"  value="239.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="32322" />
+  <B value="-368.1" />
+  <C value="12.478" />
+  <D value="-0.00063326" />
+  <E value="1.9169E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14952" />
+  <B value="-95.249" />
+  <C value="-2.9927" />
+  <D value="87.512" />
+  <E value="-180.54" />
+  <Tmin units="K"  value="286.82" />
+  <Tmax units="K"  value="1593.45" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.959" />
+  <B value="-457.46" />
+  <C value="-4.9486" />
+  <D value="0.0000065105" />
+  <E value="2" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9343E-07" />
+  <B value="0.62415" />
+  <C value="62.573" />
+  <D value="13289" />
+  <Tmin units="K"  value="205.15" />
+  <Tmax units="K"  value="2000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.064331" />
+  <B value="-179.32" />
+  <C value="0.36969" />
+  <D value="-0.0050683" />
+  <E value="-0.0000040693" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0013269" />
+  <B value="0.52727" />
+  <C value="30.264" />
+  <D value="73930" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018755" />
+  <B value="-184.08" />
+  <C value="-0.62328" />
+  <D value="-0.010678" />
+  <E value="0.0000067659" />
+  <Tmin units="K"  value="205" />
+  <Tmax units="K"  value="253.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1143.5" />
+  <B value="420.89" />
+  <C value="-0.39558" />
+  <D value="0.00012305" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.964" />
+  <B value="2204.2" />
+  <C value="6.0906" />
+  <Tmin units="K"  value="225.15" />
+  <Tmax units="K"  value="283.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.6415" />
+  <B value="-0.0085625" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="318.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.248529" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.971185E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="218.3832" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.282" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.97874" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0259655" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.243" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.208" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.07981" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.085036" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.28" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="7.8864" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.208" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="7681" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.07981" />
+<Umr name="UMR" >
+  <group id="226"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="2551-62-4" />
+<Smiles name="SMILES"  value="FS(F)(F)(F)(F)F" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1844" />
+<CompoundID name="Name"  value="Dimethyl sulfoxide" />
+<StructureFormula name="Structure"  value="CH3SOCH3" />
+<Family name="Family"  value="70" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="729" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.227" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.212" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="462.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="50.2288" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="78.1334" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.071277" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.280551" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.84E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26750" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.32E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04288" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.18E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.092E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="306300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.393E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.934577" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6054E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.743" />
+  <B value="1.2716E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="278.15" />
+  <Tmax units="K"  value="287.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1064" />
+  <B value="0.25156" />
+  <C value="729" />
+  <D value="0.33043" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.24911" />
+  <B value="-9095.583" />
+  <C value="-9.246359" />
+  <D value="3.215062E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="729" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.1934E+08" />
+  <B value="12.701" />
+  <C value="-33.974" />
+  <D value="36.922" />
+  <E value="-14.839" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3951.7" />
+  <B value="764.12" />
+  <C value="-1.607" />
+  <D value="-0.0031255" />
+  <E value="0.000017557" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="280" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="148920" />
+  <B value="274.35" />
+  <C value="2.2127" />
+  <D value="0.017296" />
+  <E value="-0.000001184" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="422.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61635" />
+  <B value="-582.63" />
+  <C value="12.205" />
+  <D value="-0.000053872" />
+  <E value="2.2232E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17475" />
+  <B value="-282.77" />
+  <C value="-60.169" />
+  <D value="75677" />
+  <E value="-324810" />
+  <Tmin units="K"  value="363" />
+  <Tmax units="K"  value="1993" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="33.492" />
+  <B value="223.29" />
+  <C value="-7.3227" />
+  <D value="0.000014294" />
+  <E value="2" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6219E-08" />
+  <B value="0.83436" />
+  <C value="168.37" />
+  <D value="-97.445" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.081843" />
+  <B value="-215.42" />
+  <C value="0.15922" />
+  <D value="-0.0051305" />
+  <E value="0.0000011114" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0006441" />
+  <B value="0.77214" />
+  <C value="1010.2" />
+  <D value="82198" />
+  <Tmin units="K"  value="462.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035188" />
+  <B value="-130.57" />
+  <C value="-1.0743" />
+  <D value="-0.0038643" />
+  <E value="0.0000013151" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="705.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="22599" />
+  <B value="269.86" />
+  <C value="-0.15903" />
+  <D value="0.000036573" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="6.679602" />
+  <B value="-11091.2" />
+  <C value="-21.74851" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="729" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.505" />
+  <B value="3949.9" />
+  <C value="-67.269" />
+  <Tmin units="K"  value="438.5" />
+  <Tmax units="K"  value="642.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8682" />
+  <B value="-0.011565" />
+  <Tmin units="K"  value="291.67" />
+  <Tmax units="K"  value="464" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.227469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.322352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="178.8339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.212" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0325977" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.10543" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.280551" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.071277" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.8266" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280551" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26750" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.071277" />
+<UnifacVLE name="UNIFAC" >
+  <group id="68"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="68"  value="1" />
+  </UnifacLLE>
+<Umr name="UMR" >
+  <group id="68"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="67"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="67-68-5" />
+<Smiles name="SMILES"  value="CS(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="69" />
+<CompoundID name="Name"  value="N-heptadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)15CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.103" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="574.56" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="295.127" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="295.134" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0465559" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="240.473" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.31045" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.762" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.355E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1808" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.449E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.939E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.083E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="820230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.0459E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.7889" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.05618E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="4.0831" />
+  <B value="-0.001532" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="118.05" />
+  <Tmax units="K"  value="295.13" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.1972" />
+  <B value="0.22446" />
+  <C value="736" />
+  <D value="0.27261" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="736" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="230.4768" />
+  <B value="-19512.15" />
+  <C value="-29.73776" />
+  <D value="0.0000119109" />
+  <E value="2" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="736" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1837E+08" />
+  <B value="0.45937" />
+  <C value="1.0501" />
+  <D value="-1.8353" />
+  <E value="0.77357" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="736" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-59944" />
+  <B value="3834.8" />
+  <C value="-16.853" />
+  <D value="0.031845" />
+  <E value="0.0000086344" />
+  <Tmin units="K"  value="30.46" />
+  <Tmax units="K"  value="270.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="341660" />
+  <B value="-48.077" />
+  <C value="11.234" />
+  <D value="0.0041437" />
+  <E value="-0.0000017269" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="575.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="247870" />
+  <B value="-663.74" />
+  <C value="14.166" />
+  <D value="-0.00017722" />
+  <E value="5.7891E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.44015" />
+  <B value="-297.46" />
+  <C value="-550.48" />
+  <D value="-414510" />
+  <E value="499680" />
+  <Tmin units="K"  value="366.69" />
+  <Tmax units="K"  value="1686.69" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-77.193" />
+  <B value="4597" />
+  <C value="9.9892" />
+  <D value="-0.0000084702" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2694E-07" />
+  <B value="0.5961" />
+  <C value="448.22" />
+  <D value="45523" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.015537" />
+  <B value="-239.33" />
+  <C value="0.042685" />
+  <D value="-0.0038367" />
+  <E value="8.6547E-07" />
+  <Tmin units="K"  value="295.13" />
+  <Tmax units="K"  value="575.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-115.33" />
+  <B value="1.0524" />
+  <C value="-2.1515E+09" />
+  <D value="-1.3137E+10" />
+  <Tmin units="K"  value="575.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.038127" />
+  <B value="-105.48" />
+  <C value="-1.5195" />
+  <D value="-0.0033062" />
+  <E value="0.000001514" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="736" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="197990" />
+  <B value="-76.576" />
+  <C value="3.7692" />
+  <D value="-0.0050387" />
+  <E value="0.0000020333" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.204" />
+  <B value="4403.1" />
+  <C value="-120.35" />
+  <Tmin units="K"  value="448.16" />
+  <Tmax units="K"  value="650" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0515" />
+  <B value="-0.0099131" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.149922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.058091E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="290.7544" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="353.46" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.9601" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.122765" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.779388" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.762" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.31045" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="11.9182" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="9.796" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="4.6926" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.762" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.31045" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="15" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-78-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="70" />
+<CompoundID name="Name"  value="N-octadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)16CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="747" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.189" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="588.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="301.33" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="301.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0339091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="254.5" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.32666" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.808" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.655E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.191" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.584E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.1457E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.921E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="859450" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.1986E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.6378" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.11726E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="5.0277" />
+  <B value="-0.0050559" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="301.32" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.21099" />
+  <B value="0.23901" />
+  <C value="748.16" />
+  <D value="0.28153" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="748.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.4726" />
+  <B value="-16120.27" />
+  <C value="-18.72498" />
+  <D value="5.38655E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="301.31" />
+  <Tmax units="K"  value="750.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.214E+08" />
+  <B value="0.36333" />
+  <C value="1.283" />
+  <D value="-2.0514" />
+  <E value="0.85175" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="723.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-62135" />
+  <B value="4107.1" />
+  <C value="-20.184" />
+  <D value="0.052076" />
+  <E value="-0.000032879" />
+  <Tmin units="K"  value="20.8" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="332820" />
+  <B value="-15.176" />
+  <C value="11.369" />
+  <D value="0.0039066" />
+  <E value="-0.0000015738" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="589.86" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="258960" />
+  <B value="-641.43" />
+  <C value="14.136" />
+  <D value="-0.000068602" />
+  <E value="1.814E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37194" />
+  <B value="-125.23" />
+  <C value="-684.43" />
+  <D value="-279030" />
+  <E value="-217610" />
+  <Tmin units="K"  value="372.63" />
+  <Tmax units="K"  value="1712.63" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.956" />
+  <B value="4978.7" />
+  <C value="10.99" />
+  <D value="-0.0000089834" />
+  <E value="2" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2955E-07" />
+  <B value="0.58255" />
+  <C value="343.75" />
+  <D value="67974" />
+  <Tmin units="K"  value="301.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046627" />
+  <B value="-130.56" />
+  <C value="-0.64842" />
+  <D value="-0.0017182" />
+  <E value="-4.6995E-07" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="589.86" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-198.99" />
+  <B value="1.1011" />
+  <C value="-5.9685E+09" />
+  <D value="5.2419E+11" />
+  <Tmin units="K"  value="589.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0056568" />
+  <B value="50.95" />
+  <C value="-3.3461" />
+  <D value="0.00054721" />
+  <E value="-0.0000042845" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="723.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="208940" />
+  <B value="-79.844" />
+  <C value="3.9922" />
+  <D value="-0.0053425" />
+  <E value="0.0000021569" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.043" />
+  <B value="4346" />
+  <C value="-132.5" />
+  <Tmin units="K"  value="450" />
+  <Tmax units="K"  value="653.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0265" />
+  <B value="-0.0096674" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.234017" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.058609E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.6455" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="373.98" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.127864" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.78311" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.808" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.32666" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="12.5926" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="10.336" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.808" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.32666" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="16" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="593-45-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="71" />
+<CompoundID name="Name"  value="N-nonadecane" />
+<StructureFormula name="Structure"  value="CH3(CH2)17CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="760" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.1" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.215" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="603.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="305.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="305.04" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0159089" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="268.521" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.343701" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.8271" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="7.983E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2012" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.719E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.3514E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.075E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="898930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.02E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.68901" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.17812E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="3.6651" />
+  <B value="-0.0013337" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="122.02" />
+  <Tmax units="K"  value="305.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.20149" />
+  <B value="0.23831" />
+  <C value="760" />
+  <D value="0.29903" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="734.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="182.4003" />
+  <B value="-17843.62" />
+  <C value="-22.48728" />
+  <D value="7.349606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="760.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5404E+08" />
+  <B value="1.2215" />
+  <C value="-0.32899" />
+  <D value="-1.0541" />
+  <E value="0.6821" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="758" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="171240" />
+  <B value="-1715.3" />
+  <C value="33.643" />
+  <D value="-0.15717" />
+  <E value="0.00026291" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="300" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="244790" />
+  <B value="42.54" />
+  <C value="11.446" />
+  <D value="0.0046334" />
+  <E value="-0.0000026668" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="603.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="274480" />
+  <B value="-648.39" />
+  <C value="14.221" />
+  <D value="-0.00011095" />
+  <E value="3.3607E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32673" />
+  <B value="14.285" />
+  <C value="-813.39" />
+  <D value="-219560" />
+  <E value="-742530" />
+  <Tmin units="K"  value="377.97" />
+  <Tmax units="K"  value="1737.97" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-84.761" />
+  <B value="5101" />
+  <C value="11.082" />
+  <D value="-0.0000087239" />
+  <E value="2" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0651E-07" />
+  <B value="0.58942" />
+  <C value="341.93" />
+  <D value="67425" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057019" />
+  <B value="73.111" />
+  <C value="-2.1518" />
+  <D value="0.0021618" />
+  <E value="-0.0000035171" />
+  <Tmin units="K"  value="305.04" />
+  <Tmax units="K"  value="603.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000043333" />
+  <B value="1.271" />
+  <C value="2799.6" />
+  <D value="138170" />
+  <Tmin units="K"  value="603.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0038905" />
+  <B value="102.44" />
+  <C value="-3.8793" />
+  <D value="0.0021193" />
+  <E value="-0.0000060226" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="758" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6522.3" />
+  <B value="1719.5" />
+  <C value="-0.89542" />
+  <D value="0.00017419" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.282" />
+  <B value="4624.1" />
+  <C value="-129.45" />
+  <Tmin units="K"  value="456.75" />
+  <Tmax units="K"  value="662.64" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0344" />
+  <B value="-0.0094781" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="623.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.318669" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.21838E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="196.1125" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.215" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="394.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.135494" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.787872" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.8271" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.343701" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="13.267" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="10.876" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.8271" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16200" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.343701" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="17" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-92-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="74" />
+<CompoundID name="Name"  value="N-heneicosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)19CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="798.64" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1391000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.197" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.211" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="629.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="313.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="313.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00621532" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="296.574" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.376581" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.942004" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.535E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15900" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.989E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.778E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.229E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="985000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.7698E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.678346" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.296E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.3536" />
+  <B value="-0.0013378" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="125.34" />
+  <Tmax units="K"  value="313.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0010945" />
+  <B value="0.018629" />
+  <C value="798.64" />
+  <D value="0.095543" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="778" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.2451" />
+  <B value="-14833.82" />
+  <C value="-11.21418" />
+  <D value="3.606473E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0592E+08" />
+  <B value="3.1557" />
+  <C value="-6.6833" />
+  <D value="7.1267" />
+  <E value="-3.099" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5.0726" />
+  <B value="-375.05" />
+  <C value="13.437" />
+  <D value="-0.02297" />
+  <E value="0.000013281" />
+  <Tmin units="K"  value="291.15" />
+  <Tmax units="K"  value="300.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="268470" />
+  <B value="50.971" />
+  <C value="11.858" />
+  <D value="0.0031331" />
+  <E value="-0.0000010628" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="740" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="253120" />
+  <B value="-507.31" />
+  <C value="13.984" />
+  <D value="0.00027572" />
+  <E value="-9.6316E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.73028" />
+  <B value="-515.12" />
+  <C value="-797.83" />
+  <D value="-1492800" />
+  <E value="2875300" />
+  <Tmin units="K"  value="389" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-25.108" />
+  <B value="2540.9" />
+  <C value="2.0324" />
+  <D value="-0.0000013549" />
+  <E value="2" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="630.79" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9575E-07" />
+  <B value="0.62136" />
+  <C value="718.74" />
+  <D value="3255.3" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.22263" />
+  <B value="31.196" />
+  <C value="-1.0701" />
+  <D value="0.0001617" />
+  <E value="-7.0064E-07" />
+  <Tmin units="K"  value="313.15" />
+  <Tmax units="K"  value="629.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-237.86" />
+  <B value="1.0527" />
+  <C value="-4.9708E+09" />
+  <D value="-8.9521E+10" />
+  <Tmin units="K"  value="629.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035118" />
+  <B value="-77.945" />
+  <C value="-1.8055" />
+  <D value="-0.0025383" />
+  <E value="0.0000008909" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="778" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8894.6" />
+  <B value="1961.7" />
+  <C value="-1.0696" />
+  <D value="0.00022407" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.466" />
+  <B value="4900.1" />
+  <C value="-136.52" />
+  <Tmin units="K"  value="484.54" />
+  <Tmax units="K"  value="704.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9063" />
+  <B value="-0.0093353" />
+  <Tmin units="K"  value="313.35" />
+  <Tmax units="K"  value="630.79" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.486861" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.281752E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="192.611" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.211" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="435.54" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.158831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.792195" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.942004" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.376581" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="14.6158" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="11.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.942004" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15900" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.376581" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="19" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-94-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="75" />
+<CompoundID name="Name"  value="N-docosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)20CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="808.83" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1339000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.209" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="641.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="318.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="317.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00359575" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="310.601" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.393226" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.973" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.799E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2319" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.985E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.307E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1019000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.8953E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.744627" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.357E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.2062" />
+  <B value="-0.0012637" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="126.86" />
+  <Tmax units="K"  value="317.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.00088994" />
+  <B value="0.017172" />
+  <C value="808.83" />
+  <D value="0.094179" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="787" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="270.663" />
+  <B value="-22731.61" />
+  <C value="-35.81794" />
+  <D value="0.0000193308" />
+  <E value="2" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5383E+08" />
+  <B value="1.0955" />
+  <C value="-1.2067" />
+  <D value="1.3977" />
+  <E value="-0.85529" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="22469" />
+  <B value="2585.1" />
+  <C value="-4.4911" />
+  <D value="0.010078" />
+  <E value="-0.000009896" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="317.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94846" />
+  <B value="-114.81" />
+  <C value="13.466" />
+  <D value="0.000531" />
+  <E value="3.3532E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="740" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="291820" />
+  <B value="-567.43" />
+  <C value="14.157" />
+  <D value="0.00012912" />
+  <E value="-4.9166E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.76617" />
+  <B value="-496.25" />
+  <C value="-894.79" />
+  <D value="-1799300" />
+  <E value="3495100" />
+  <Tmin units="K"  value="393.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-27.314" />
+  <B value="2728.1" />
+  <C value="2.3358" />
+  <D value="-0.0000013135" />
+  <E value="2" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="643.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8858E-07" />
+  <B value="0.62154" />
+  <C value="714.54" />
+  <D value="4582.3" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.148" />
+  <B value="-22.716" />
+  <C value="-0.91136" />
+  <D value="-0.00059496" />
+  <E value="-3.4759E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="641.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-270.77" />
+  <B value="1.0546" />
+  <C value="-5.8977E+09" />
+  <D value="-1.0935E+11" />
+  <Tmin units="K"  value="641.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03075" />
+  <B value="-73.068" />
+  <C value="-1.9074" />
+  <D value="-0.002422" />
+  <E value="7.0531E-07" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="787" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16805" />
+  <B value="2089.4" />
+  <C value="-1.1669" />
+  <D value="0.00025179" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.153082" />
+  <B value="-1000" />
+  <C value="-6" />
+  <Tmin units="K"  value="304.15" />
+  <Tmax units="K"  value="474.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.952" />
+  <B value="5415.6" />
+  <C value="-122.39" />
+  <Tmin units="K"  value="490.15" />
+  <Tmax units="K"  value="712.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7996" />
+  <B value="-0.0093671" />
+  <Tmin units="K"  value="317.15" />
+  <Tmax units="K"  value="643.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.567299" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.316045E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="188.4938" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.209" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="456.06" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.167898" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.795185" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.973" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.393226" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="15.2902" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="12.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.973" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.393226" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="20" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-97-0" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="76" />
+<CompoundID name="Name"  value="N-tricosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)21CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="818.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.208" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="653.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="320.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="320.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00186855" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="324.627" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.4074" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.02617" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.065E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2422" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.259E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.192E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.39E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1064000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.3974E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.417E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="3.0671" />
+  <B value="-0.0011957" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="128.26" />
+  <Tmax units="K"  value="320.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.048866" />
+  <B value="0.12922" />
+  <C value="818.25" />
+  <D value="0.20531" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="770.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-22.08031" />
+  <B value="-9534.111" />
+  <C value="8.274049" />
+  <D value="-0.0000125255" />
+  <E value="2" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.6434E+08" />
+  <B value="1.0068" />
+  <C value="-0.55169" />
+  <D value="0.31454" />
+  <E value="-0.3244" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="6630" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="320.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-58655" />
+  <B value="-99.845" />
+  <C value="13.754" />
+  <D value="0.00030768" />
+  <E value="3.7705E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="304710" />
+  <B value="-567.01" />
+  <C value="14.201" />
+  <D value="0.00012862" />
+  <E value="-4.8999E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.80211" />
+  <B value="-472.21" />
+  <C value="-1000" />
+  <D value="-2157000" />
+  <E value="4225100" />
+  <Tmin units="K"  value="398" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.8394" />
+  <B value="1949.8" />
+  <C value="-0.47088" />
+  <D value="0.0000010446" />
+  <E value="2" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="654.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8518E-07" />
+  <B value="0.61933" />
+  <C value="704.01" />
+  <D value="6598.3" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.18218" />
+  <B value="0.19147" />
+  <C value="-0.94906" />
+  <D value="-0.00035642" />
+  <E value="-3.5025E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="653.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-232.83" />
+  <B value="1.0566" />
+  <C value="-5.2747E+09" />
+  <D value="-9.8604E+10" />
+  <Tmin units="K"  value="653.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03252" />
+  <B value="-86.948" />
+  <C value="-1.7797" />
+  <D value="-0.0026525" />
+  <E value="9.2007E-07" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="796" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-17575" />
+  <B value="2183.7" />
+  <C value="-1.2207" />
+  <D value="0.00026363" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.773" />
+  <B value="5247.8" />
+  <C value="-140.8" />
+  <Tmin units="K"  value="493.15" />
+  <Tmax units="K"  value="720.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8318" />
+  <B value="-0.0091216" />
+  <Tmin units="K"  value="320.65" />
+  <Tmax units="K"  value="654.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.644437" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.342746E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.4249" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.208" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="476.58" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.17165" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.798403" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.02617" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.4074" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="15.9646" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="13.036" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.02617" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.4074" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="21" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="638-67-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="77" />
+<CompoundID name="Name"  value="N-tetracosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)22CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="810" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.207" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="664.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="324.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="323.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00138507" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="338.654" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.426088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.07102" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.321E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2524" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.394E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.4E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.472E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1097000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.4894E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.912905" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.479E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="2.705" />
+  <B value="-0.000046396" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="323.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.013821" />
+  <B value="0.07087" />
+  <C value="810" />
+  <D value="0.13885" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="804" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.4643" />
+  <B value="-17014.83" />
+  <C value="-12.51446" />
+  <D value="1.109888E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.5462E+08" />
+  <B value="0.24892" />
+  <C value="1.8808" />
+  <D value="-2.829" />
+  <E value="1.1319" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-127900" />
+  <B value="6840.6" />
+  <C value="-42.334" />
+  <D value="0.13573" />
+  <E value="-0.00013432" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="290" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="397960" />
+  <B value="-97.814" />
+  <C value="12.108" />
+  <D value="0.0038156" />
+  <E value="-0.0000022229" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="664.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="318880" />
+  <B value="-569.39" />
+  <C value="14.249" />
+  <D value="0.00012213" />
+  <E value="-4.6983E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.66108" />
+  <B value="-157.86" />
+  <C value="-1201.7" />
+  <D value="-2514500" />
+  <E value="5035800" />
+  <Tmin units="K"  value="402" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-64.748" />
+  <B value="4433" />
+  <C value="8.0272" />
+  <D value="-0.0000059771" />
+  <E value="2" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="793.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9788E-07" />
+  <B value="0.59708" />
+  <C value="514.64" />
+  <D value="49388" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.046069" />
+  <B value="-245.01" />
+  <C value="-0.62562" />
+  <D value="-0.0019192" />
+  <E value="-0.0000023135" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="683.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-232.02" />
+  <B value="1.063" />
+  <C value="-5.6529E+09" />
+  <D value="-8.4042E+10" />
+  <Tmin units="K"  value="664.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.087025" />
+  <B value="-29.702" />
+  <C value="-1.7009" />
+  <D value="-0.0013432" />
+  <E value="5.7868E-07" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="804" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18646" />
+  <B value="2279.4" />
+  <C value="-1.2759" />
+  <D value="0.0002759" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.919" />
+  <B value="5413.7" />
+  <C value="-142.61" />
+  <Tmin units="K"  value="487.25" />
+  <Tmax units="K"  value="728.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2184" />
+  <B value="-0.0080348" />
+  <Tmin units="K"  value="323.75" />
+  <Tmax units="K"  value="793.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.715072" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.368548E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="182.344" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.207" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="497.1" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.173787" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.797216" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.07102" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.426088" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="16.639" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="13.576" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.07102" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.426088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="22" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="646-31-1" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="78" />
+<CompoundID name="Name"  value="N-pentacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)23CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="836.31" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1202000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.418" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.205" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="675.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="327.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="326.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00079876" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="352.68" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.442767" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.10526" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.58E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2626" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.529E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.607E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.553E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1143000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.7739E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.856007" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.539E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.8278" />
+  <B value="-0.0010821" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="130.66" />
+  <Tmax units="K"  value="326.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.00063401" />
+  <B value="0.015388" />
+  <C value="836.31" />
+  <D value="0.093752" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="812" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-203.2504" />
+  <B value="-1095.063" />
+  <C value="35.1974" />
+  <D value="-0.0000282197" />
+  <E value="2" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9288E+08" />
+  <B value="1.8937" />
+  <C value="-3.4712" />
+  <D value="3.9636" />
+  <E value="-1.9344" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="162660" />
+  <B value="-988.28" />
+  <C value="34.605" />
+  <D value="-0.17879" />
+  <E value="0.00032498" />
+  <Tmin units="K"  value="91.3" />
+  <Tmax units="K"  value="294.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="528340" />
+  <B value="-126.87" />
+  <C value="12.075" />
+  <D value="0.002955" />
+  <E value="-9.8642E-07" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="330530" />
+  <B value="-566.25" />
+  <C value="14.283" />
+  <D value="0.00012874" />
+  <E value="-4.9096E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.87493" />
+  <B value="-408.43" />
+  <C value="-1227.2" />
+  <D value="-3003700" />
+  <E value="5985700" />
+  <Tmin units="K"  value="406" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.804" />
+  <B value="1971.8" />
+  <C value="-0.26998" />
+  <D value="3.9914E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="677.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8769E-07" />
+  <B value="0.61575" />
+  <C value="746.72" />
+  <D value="4040.4" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0058343" />
+  <B value="-203.86" />
+  <C value="-0.37432" />
+  <D value="-0.0029792" />
+  <E value="2.4773E-07" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="675.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-266.99" />
+  <B value="1.0606" />
+  <C value="-6.4961E+09" />
+  <D value="-1.2167E+11" />
+  <Tmin units="K"  value="675.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028179" />
+  <B value="-85.291" />
+  <C value="-1.8555" />
+  <D value="-0.0026056" />
+  <E value="7.8884E-07" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="812" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-19038" />
+  <B value="2371.9" />
+  <C value="-1.3272" />
+  <D value="0.00028688" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.542" />
+  <B value="5136.2" />
+  <C value="-161.6" />
+  <Tmin units="K"  value="503.15" />
+  <Tmax units="K"  value="735.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8494" />
+  <B value="-0.0087525" />
+  <Tmin units="K"  value="326.65" />
+  <Tmax units="K"  value="677.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.778027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.403995E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="181.8002" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.205" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="517.62" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.189742" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.803521" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.442767" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="17.3134" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="14.116" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.10526" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.442767" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="23" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-99-2" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="79" />
+<CompoundID name="Name"  value="N-hexacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)24CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="844.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1162000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.473" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.203" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="685.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="329.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="329.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000515816" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="366.707" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.4561" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.15444" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="9.83E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2729" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.664E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.814E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.636E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1176000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5.9496E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.875734" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="3.1664" />
+  <B value="-0.0021136" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="292.25" />
+  <Tmax units="K"  value="329.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0012458" />
+  <B value="0.021983" />
+  <C value="844.7" />
+  <D value="0.10464" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="819" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-181.3952" />
+  <B value="-2296.288" />
+  <C value="31.90668" />
+  <D value="-0.0000256231" />
+  <E value="2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0502E+08" />
+  <B value="2.0708" />
+  <C value="-3.8957" />
+  <D value="4.3419" />
+  <E value="-2.0579" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-38418" />
+  <B value="3706.2" />
+  <C value="-2.4141" />
+  <D value="-0.050428" />
+  <E value="0.00014632" />
+  <Tmin units="K"  value="13.83" />
+  <Tmax units="K"  value="320.36" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="657670" />
+  <B value="-651.68" />
+  <C value="14.164" />
+  <D value="-0.00036454" />
+  <E value="7.7672E-07" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="750" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="342560" />
+  <B value="-564.25" />
+  <C value="14.318" />
+  <D value="0.00013185" />
+  <E value="-5.001E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.91137" />
+  <B value="-367.77" />
+  <C value="-1348.9" />
+  <D value="-3484600" />
+  <E value="6989300" />
+  <Tmin units="K"  value="409.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-92.13292" />
+  <B value="5845.982" />
+  <C value="12.08985" />
+  <D value="-8.198834E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="813.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7977E-07" />
+  <B value="0.616" />
+  <C value="732.48" />
+  <D value="6359.2" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020148" />
+  <B value="-211.96" />
+  <C value="-0.39294" />
+  <D value="-0.0031327" />
+  <E value="1.9698E-07" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="685.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-164.53" />
+  <B value="1.0626" />
+  <C value="-4.163E+09" />
+  <D value="-7.6944E+10" />
+  <Tmin units="K"  value="685.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.066949" />
+  <B value="-1.3964" />
+  <C value="-2.0199" />
+  <D value="-0.0011254" />
+  <E value="0.0000003598" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="819" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-19227" />
+  <B value="2464" />
+  <C value="-1.3788" />
+  <D value="0.00029808" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.698" />
+  <B value="5292.3" />
+  <C value="-164.22" />
+  <Tmin units="K"  value="509.68" />
+  <Tmax units="K"  value="741.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5609" />
+  <B value="-0.0092454" />
+  <Tmin units="K"  value="329.25" />
+  <Tmax units="K"  value="813.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.831535" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.438745E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="177.2562" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.203" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="538.14" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.197603" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.803608" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.03" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.4561" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="17.9878" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="14.656" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.15444" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.4561" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="24" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-01-3" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="80" />
+<CompoundID name="Name"  value="N-heptacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)25CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="826" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="883000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.58" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.203" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="695.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="332.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="332.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000283125" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="380.734" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.48815" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.21357" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.017E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.28309" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.799E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.021E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.716E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1216000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.0417E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.15" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.66E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.6193" />
+  <B value="-0.00098572" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="132.86" />
+  <Tmax units="K"  value="332.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13373" />
+  <B value="0.23061" />
+  <C value="826" />
+  <D value="0.29272" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="800.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="254.28" />
+  <B value="-25266" />
+  <C value="-32.268" />
+  <D value="0.0000098574" />
+  <E value="2" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="826" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.738E+08" />
+  <B value="0.55455" />
+  <C value="0.6619" />
+  <D value="-1.1864" />
+  <E value="0.39235" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="800.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="131.35" />
+  <B value="10430" />
+  <C value="-49.252" />
+  <D value="0.10336" />
+  <E value="-0.000081339" />
+  <Tmin units="K"  value="313" />
+  <Tmax units="K"  value="322.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="287690" />
+  <B value="-499.88" />
+  <C value="15.238" />
+  <D value="-0.0020847" />
+  <E value="0.000001614" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="324210" />
+  <B value="-507.11" />
+  <C value="14.235" />
+  <D value="0.00027032" />
+  <E value="-9.4813E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.94678" />
+  <B value="-319.68" />
+  <C value="-1479.8" />
+  <D value="-4020400" />
+  <E value="8104800" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.337" />
+  <B value="2071.7" />
+  <C value="-0.014083" />
+  <D value="1.056E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7943E-07" />
+  <B value="0.60493" />
+  <C value="599.04" />
+  <D value="42458" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12846" />
+  <B value="8.4662" />
+  <C value="-1.1232" />
+  <D value="-0.00036291" />
+  <E value="-3.8993E-07" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-177.26" />
+  <B value="1.0676" />
+  <C value="-4.7446E+09" />
+  <D value="-7.2852E+10" />
+  <Tmin units="K"  value="695.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.065365" />
+  <B value="-27.602" />
+  <C value="-1.8659" />
+  <D value="-0.0014826" />
+  <E value="5.6633E-07" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="800.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11687" />
+  <B value="2518.7" />
+  <C value="-1.3794" />
+  <D value="0.00029016" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.746" />
+  <B value="5352.8" />
+  <C value="-170.98" />
+  <Tmin units="K"  value="514.09" />
+  <Tmax units="K"  value="727.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.756" />
+  <B value="-0.0086105" />
+  <Tmin units="K"  value="332.15" />
+  <Tmax units="K"  value="695.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.871975" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.472771E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="173.3321" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.203" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="558.66" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.191283" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805702" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.21357" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.48815" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="18.6622" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="15.196" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.21357" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15810" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.48815" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="25" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="593-49-7" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="81" />
+<CompoundID name="Name"  value="N-octacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)26CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="843" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="888000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.58" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="704.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="334.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="334.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000104457" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="394.76" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.492645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.23752" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.033E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2933" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="3.934E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.228E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.799E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1255000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.4643E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.06" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.722E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.5213" />
+  <B value="-0.00094263" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="133.74" />
+  <Tmax units="K"  value="334.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0073167" />
+  <B value="0.055448" />
+  <C value="843" />
+  <D value="0.13236" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="832" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="196.5874" />
+  <B value="-22285.21" />
+  <C value="-23.91336" />
+  <D value="7.155924E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0593E+08" />
+  <B value="0.90796" />
+  <C value="0.4061" />
+  <D value="-1.298" />
+  <E value="0.44283" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-84888" />
+  <B value="5947.6" />
+  <C value="-27.952" />
+  <D value="0.062726" />
+  <E value="-0.0000046784" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="250" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="494250" />
+  <B value="-131.76" />
+  <C value="12.406" />
+  <D value="0.0033619" />
+  <E value="-0.0000018387" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="704.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="335140" />
+  <B value="-505.51" />
+  <C value="14.268" />
+  <D value="0.00027376" />
+  <E value="-9.6008E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.7412" />
+  <B value="-1526.5" />
+  <C value="-1143.7" />
+  <D value="-7580800" />
+  <E value="1.9977E+07" />
+  <Tmin units="K"  value="416" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-110.67" />
+  <B value="6750.2" />
+  <C value="14.886" />
+  <D value="-0.000010312" />
+  <E value="2" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000003028" />
+  <B value="0.58316" />
+  <C value="487.28" />
+  <D value="64252" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0095167" />
+  <B value="-82.828" />
+  <C value="-0.8204" />
+  <D value="-0.0023614" />
+  <E value="5.0131E-07" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="704.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-190.77" />
+  <B value="1.0711" />
+  <C value="-5.355E+09" />
+  <D value="-7.036E+10" />
+  <Tmin units="K"  value="704.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.063455" />
+  <B value="-39.315" />
+  <C value="-1.8285" />
+  <D value="-0.0015529" />
+  <E value="5.9113E-07" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="832" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11108" />
+  <B value="2607.2" />
+  <C value="-1.4263" />
+  <D value="0.00029964" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.188" />
+  <B value="5872" />
+  <C value="-153.33" />
+  <Tmin units="K"  value="508.11" />
+  <Tmax units="K"  value="753.42" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5887" />
+  <B value="-0.0088828" />
+  <Tmin units="K"  value="334.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.897158" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.499321E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="167.6674" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="579.18" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.207041" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804469" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.152" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.492645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="19.3366" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="15.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.23752" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15700" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.492645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="26" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-02-4" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="82" />
+<CompoundID name="Name"  value="N-nonacosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)27CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="838" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="826000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.69" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="713.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="339.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="336.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000684619" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="408.787" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.523824" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.26531" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.066E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.30355" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.069E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.435E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.879E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1295000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6.6107E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.22" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.782E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.4398" />
+  <B value="-0.00090537" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="134.74" />
+  <Tmax units="K"  value="336.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12857" />
+  <B value="0.23366" />
+  <C value="838" />
+  <D value="0.30121" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="811.62" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-4.241455" />
+  <B value="-11668.64" />
+  <C value="5.534214" />
+  <D value="-8.103778E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="838" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.9213E+08" />
+  <B value="0.53282" />
+  <C value="0.78359" />
+  <D value="-0.96953" />
+  <E value="0.062608" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="811.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="7750" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="336.85" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-89782" />
+  <B value="-199.31" />
+  <C value="14.448" />
+  <D value="-0.00027681" />
+  <E value="5.1812E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="383900" />
+  <B value="-568.27" />
+  <C value="14.435" />
+  <D value="0.00012081" />
+  <E value="-4.6695E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.0196" />
+  <B value="-209.07" />
+  <C value="-1754" />
+  <D value="-5213400" />
+  <E value="1.0619E+07" />
+  <Tmin units="K"  value="419" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.543" />
+  <B value="2141.6" />
+  <C value="0.0076776" />
+  <D value="-5.4408E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7904E-07" />
+  <B value="0.59854" />
+  <C value="575.23" />
+  <D value="50800" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1272" />
+  <B value="8.851" />
+  <C value="-1.1267" />
+  <D value="-0.00035068" />
+  <E value="-3.6961E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-257.69" />
+  <B value="1.0697" />
+  <C value="-7.2501E+09" />
+  <D value="-1.1593E+11" />
+  <Tmin units="K"  value="713.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067484" />
+  <B value="-24.584" />
+  <C value="-1.877" />
+  <D value="-0.0013532" />
+  <E value="4.7688E-07" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="811.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22489" />
+  <B value="2750.8" />
+  <C value="-1.5436" />
+  <D value="0.00033453" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.591" />
+  <B value="5404.9" />
+  <C value="-176.93" />
+  <Tmin units="K"  value="516.55" />
+  <Tmax units="K"  value="732.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7316" />
+  <B value="-0.0085077" />
+  <Tmin units="K"  value="336.85" />
+  <Tmax units="K"  value="713.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.69" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.533337E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="166.673" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.2" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="599.7" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.207949" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.809984" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.31" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.523824" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="20.011" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="16.276" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.26531" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.523824" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="27" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="630-03-5" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="55" />
+<CompoundID name="Name"  value="Squalane" />
+<StructureFormula name="Structure"  value="((CH3)2CH(C3H6CH(CH3))2C2H4)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="863" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="868000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.64" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.198" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="623.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="235.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.70072E-12" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="422.813" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.526135" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.915303" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.147E-09" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.31372" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.198E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.896E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.868E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1272000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4.7E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.85E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="2.5508" />
+  <B value="-0.001356" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.06" />
+  <Tmax units="K"  value="235.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.15996" />
+  <B value="0.26223" />
+  <C value="863" />
+  <D value="0.38604" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="518.45" />
+  <B value="-40342" />
+  <C value="-70.491" />
+  <D value="0.00002486" />
+  <E value="2" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3274E+08" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="21100" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="235.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-38276" />
+  <B value="-113.46" />
+  <C value="13.728" />
+  <D value="0.001186" />
+  <E value="-3.7363E-07" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="720" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="369830" />
+  <B value="-553.39" />
+  <C value="14.489" />
+  <D value="0.00010319" />
+  <E value="-3.8186E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="1.4043" />
+  <B value="-1190.2" />
+  <C value="-1952.6" />
+  <D value="-3198600" />
+  <E value="3136900" />
+  <Tmin units="K"  value="431.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="118" />
+  <A value="-347.8968" />
+  <B value="71874.9" />
+  <C value="53.72611" />
+  <D value="-0.0000616157" />
+  <E value="1.3" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2128E-07" />
+  <B value="0.5436" />
+  <C value="144.2" />
+  <D value="25.787" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045427" />
+  <B value="7.6198" />
+  <C value="-1.8982" />
+  <D value="-0.00026051" />
+  <E value="-5.9557E-07" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056714" />
+  <B value="1.0625" />
+  <C value="551.79" />
+  <D value="75579" />
+  <Tmin units="K"  value="720" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.068044" />
+  <B value="-20.425" />
+  <C value="-1.8668" />
+  <D value="-0.0015438" />
+  <E value="7.0904E-07" />
+  <Tmin units="K"  value="235.15" />
+  <Tmax units="K"  value="863" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-51533" />
+  <B value="2946.8" />
+  <C value="-1.7001" />
+  <D value="0.00038015" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.512" />
+  <B value="5091.9" />
+  <C value="-151.93" />
+  <Tmin units="K"  value="532.15" />
+  <Tmax units="K"  value="763.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="15.101" />
+  <B value="-0.059092" />
+  <Tmin units="K"  value="233.15" />
+  <Tmax units="K"  value="720" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="1.64" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="1.536483E-09" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="165.546" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.198" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="620.22" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.21451" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.810331" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="-0.2" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.526135" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="20.6854" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="16.816" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.915303" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.526135" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="28" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-01-3" />
+<Smiles name="SMILES"  value="CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="18" />
+<CompoundID name="Name"  value="2-methylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2730000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.18" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00429886" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1486" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.167E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.9472E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3470000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="420410" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9184000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.021" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45935E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.913" />
+  <B value="-0.0071489" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.96" />
+  <Tmax units="K"  value="154.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4821" />
+  <B value="0.23526" />
+  <C value="530.41" />
+  <D value="0.23824" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="530.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.20617" />
+  <B value="-6876.202" />
+  <C value="-10.31895" />
+  <D value="8.219062E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="530.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.861947E+07" />
+  <B value="0.640142" />
+  <C value="-0.832218" />
+  <D value="0.945728" />
+  <E value="-0.370956" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="510.64" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-93650" />
+  <B value="5393.4" />
+  <C value="-66.789" />
+  <D value="0.4004" />
+  <E value="-0.00085798" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="154.91" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142210" />
+  <B value="82.605" />
+  <C value="8.5784" />
+  <D value="0.010085" />
+  <E value="-0.000006336" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88324" />
+  <B value="-552.27" />
+  <C value="13.044" />
+  <D value="0.00017909" />
+  <E value="-6.2753E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24129" />
+  <B value="-294.06" />
+  <C value="-38.004" />
+  <D value="-4376.2" />
+  <E value="6364" />
+  <Tmin units="K"  value="265" />
+  <Tmax units="K"  value="1931" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.237" />
+  <B value="971.42" />
+  <C value="-0.18335" />
+  <D value="0.0000010057" />
+  <E value="2" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000041509" />
+  <B value="0.28637" />
+  <C value="700.76" />
+  <D value="14523" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.060786" />
+  <B value="305.44" />
+  <C value="-6.3461" />
+  <D value="0.018265" />
+  <E value="-0.000033419" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="426.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062491" />
+  <B value="1.0749" />
+  <C value="-62.587" />
+  <D value="153720" />
+  <Tmin units="K"  value="363.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013533" />
+  <B value="18.468" />
+  <C value="-3.0315" />
+  <D value="-0.00031495" />
+  <E value="-0.0000041446" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="510.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28702" />
+  <B value="385.57" />
+  <C value="0.45281" />
+  <D value="-0.00082105" />
+  <E value="3.3998E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.843" />
+  <B value="2915.6" />
+  <C value="-50.214" />
+  <Tmin units="K"  value="318.13" />
+  <Tmax units="K"  value="473.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.256" />
+  <B value="-0.015273" />
+  <Tmin units="K"  value="154.9" />
+  <Tmax units="K"  value="363.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425893" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.009769E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.9013" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44187" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0548484" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682411" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1486" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002745" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.96509" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1486" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-76-4" />
+<Smiles name="SMILES"  value="CC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="19" />
+<CompoundID name="Name"  value="3-methylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2CH2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="535.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.404" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="153.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="153.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00321303" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14674" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.323" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.078E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.9133E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5080000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425930" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9460000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0009" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.46177E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.934" />
+  <B value="-0.007197" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.5" />
+  <Tmax units="K"  value="153.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53784" />
+  <B value="0.24926" />
+  <C value="535.2" />
+  <D value="0.22945" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="535.19" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.76736" />
+  <B value="-6773.074" />
+  <C value="-9.77749" />
+  <D value="7.535909E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="535.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.817768E+07" />
+  <B value="1.085699" />
+  <C value="-1.05321" />
+  <D value="0.37877" />
+  <E value="0.0254378" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="515.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-60717" />
+  <B value="5410" />
+  <C value="-46.69" />
+  <D value="0.17474" />
+  <E value="-0.00023062" />
+  <Tmin units="K"  value="89.2" />
+  <Tmax units="K"  value="289.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151720" />
+  <B value="437.07" />
+  <C value="3.0907" />
+  <D value="0.032504" />
+  <E value="-0.000034822" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80171" />
+  <B value="-511.41" />
+  <C value="12.979" />
+  <D value="0.00025345" />
+  <E value="-8.5984E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24147" />
+  <B value="-297.07" />
+  <C value="-38.97" />
+  <D value="-4831.4" />
+  <E value="7213.9" />
+  <Tmin units="K"  value="267" />
+  <Tmax units="K"  value="1947" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.794" />
+  <B value="999.53" />
+  <C value="0.086997" />
+  <D value="-2.3727E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5226E-07" />
+  <B value="0.55481" />
+  <C value="210.53" />
+  <D value="14.061" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14432" />
+  <B value="11.474" />
+  <C value="-1.2132" />
+  <D value="-0.00022172" />
+  <E value="-0.0000010949" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="425" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000041038" />
+  <B value="1.1288" />
+  <C value="-121.44" />
+  <D value="150080" />
+  <Tmin units="K"  value="365" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014185" />
+  <B value="14.535" />
+  <C value="-2.9491" />
+  <D value="-0.00055881" />
+  <E value="-0.0000037071" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="515.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-9515.9" />
+  <B value="684.74" />
+  <C value="-0.35808" />
+  <D value="0.000070956" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.869" />
+  <B value="2945.4" />
+  <C value="-49.691" />
+  <Tmin units="K"  value="325.5" />
+  <Tmax units="K"  value="474.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8534" />
+  <B value="-0.016863" />
+  <Tmin units="K"  value="153.75" />
+  <Tmax units="K"  value="365" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425893" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.109797E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="255.2548" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.35301" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0540085" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.692371" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.323" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14674" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002806" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.7712" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.323" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14674" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-34-4" />
+<Smiles name="SMILES"  value="CCC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="20" />
+<CompoundID name="Name"  value="3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4158" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="366.63" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="154.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="154.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00170947" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1444" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.311" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.943E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0784799" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.098E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.89661E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.09202E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="411540" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9547890" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99001" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.4642E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.258" />
+  <B value="-0.0073712" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.82" />
+  <Tmax units="K"  value="154.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56112" />
+  <B value="0.24813" />
+  <C value="540.61" />
+  <D value="0.27074" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="540.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.99315" />
+  <B value="-6915.896" />
+  <C value="-10.27777" />
+  <D value="8.039283E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="540.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3257E+07" />
+  <B value="1.2647" />
+  <C value="-2.6729" />
+  <D value="3.1124" />
+  <E value="-1.3109" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="520.28" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197190" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="540.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152590" />
+  <B value="204.56" />
+  <C value="5.9318" />
+  <D value="0.021701" />
+  <E value="-0.000022224" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="300" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102980" />
+  <B value="-630.04" />
+  <C value="13.15" />
+  <D value="0.000058616" />
+  <E value="-2.6799E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24168" />
+  <B value="-300.63" />
+  <C value="-39.661" />
+  <D value="-8353.5" />
+  <E value="16171" />
+  <Tmin units="K"  value="270.3" />
+  <Tmax units="K"  value="1971.32" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.885" />
+  <B value="1001.1" />
+  <C value="0.10351" />
+  <D value="-0.0000003544" />
+  <E value="2" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.1521E-07" />
+  <B value="0.52741" />
+  <C value="287.77" />
+  <D value="1840.5" />
+  <Tmin units="K"  value="366.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.055574" />
+  <B value="4.7874" />
+  <C value="-1.5746" />
+  <D value="-0.0003945" />
+  <E value="-0.0000016303" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000065519" />
+  <B value="1.0691" />
+  <C value="-74.423" />
+  <D value="161360" />
+  <Tmin units="K"  value="366.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012077" />
+  <B value="20.986" />
+  <C value="-3.0408" />
+  <D value="-0.00022974" />
+  <E value="-0.0000045333" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="520.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="63173" />
+  <B value="162.52" />
+  <C value="0.96789" />
+  <D value="-0.0013392" />
+  <E value="0.0000005303" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.873" />
+  <B value="2975.2" />
+  <C value="-48.333" />
+  <Tmin units="K"  value="326.9" />
+  <Tmax units="K"  value="479.64" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9085" />
+  <B value="-0.016578" />
+  <Tmin units="K"  value="154.55" />
+  <Tmax units="K"  value="366.62" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425892" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.792969E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.1931" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.36464" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0540613" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.704619" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.311" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1444" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1734" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.392" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000168" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.76463" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.311" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1444" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="617-78-7" />
+<Smiles name="SMILES"  value="CCC(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="21" />
+<CompoundID name="Name"  value="2,2-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="520.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2770000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4158" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="352.32" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="149.34" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="149.34" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00317517" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14967" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.287" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.922E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.118E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.06146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="550000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="392580" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5824000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96525" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45048E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9776" />
+  <B value="-0.0074425" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="59.74" />
+  <Tmax units="K"  value="149.34" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5639" />
+  <B value="0.25328" />
+  <C value="520.51" />
+  <D value="0.25578" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="520.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.15112" />
+  <B value="-6377.959" />
+  <C value="-9.646055" />
+  <D value="8.426861E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="520.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.34663E+07" />
+  <B value="0.794603" />
+  <C value="-0.00994342" />
+  <D value="-0.969824" />
+  <E value="0.623819" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="503" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-151610" />
+  <B value="8029.6" />
+  <C value="-109.32" />
+  <D value="0.68084" />
+  <E value="-0.0014889" />
+  <Tmin units="K"  value="69.95" />
+  <Tmax units="K"  value="149.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129920" />
+  <B value="-35.818" />
+  <C value="9.4637" />
+  <D value="0.0091865" />
+  <E value="-0.0000074351" />
+  <Tmin units="K"  value="149.43" />
+  <Tmax units="K"  value="310" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80553" />
+  <B value="-507.91" />
+  <C value="12.99" />
+  <D value="0.00027095" />
+  <E value="-7.6982E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25329" />
+  <B value="-290.61" />
+  <C value="-31.592" />
+  <D value="-7598.3" />
+  <E value="14076" />
+  <Tmin units="K"  value="260.25" />
+  <Tmax units="K"  value="1898.25" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.348" />
+  <B value="1370.4" />
+  <C value="2.2619" />
+  <D value="-0.0000092505" />
+  <E value="2" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.1425E-07" />
+  <B value="0.61072" />
+  <C value="160.83" />
+  <D value="5436.3" />
+  <Tmin units="K"  value="352.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.052706" />
+  <B value="3.783" />
+  <C value="-1.5822" />
+  <D value="-0.00046167" />
+  <E value="-0.0000017248" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000010009" />
+  <B value="1.3247" />
+  <C value="-199.43" />
+  <D value="115550" />
+  <Tmin units="K"  value="352.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010753" />
+  <B value="30.074" />
+  <C value="-3.2695" />
+  <D value="0.00035683" />
+  <E value="-0.0000056635" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="500.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="10934" />
+  <B value="502.71" />
+  <C value="0.23389" />
+  <D value="-0.00063356" />
+  <E value="2.8552E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.759" />
+  <B value="2846.1" />
+  <C value="-44.131" />
+  <Tmin units="K"  value="313.48" />
+  <Tmax units="K"  value="463.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8111" />
+  <B value="-0.019605" />
+  <Tmin units="K"  value="149.34" />
+  <Tmax units="K"  value="352.34" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.823625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.9511" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.424" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0539877" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682101" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.287" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14967" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1727" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.003786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.86847" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.287" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14967" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-35-2" />
+<Smiles name="SMILES"  value="CC(C)(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22" />
+<CompoundID name="Name"  value="2,3-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="537.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2910000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.393" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="362.91" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14505" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.297" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.917E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.097E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.941E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5610000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414550" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88928" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45567E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.21" />
+  <B value="-5.0318E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60743" />
+  <B value="0.26317" />
+  <C value="537.3" />
+  <D value="0.2444" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.051" />
+  <B value="-6444.3" />
+  <C value="-8.9383" />
+  <D value="0.0000069583" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.686611E+07" />
+  <B value="1.319959" />
+  <C value="-1.914129" />
+  <D value="1.410201" />
+  <E value="-0.377243" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="517.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5151" />
+  <B value="688.15" />
+  <C value="37.701" />
+  <D value="-0.85477" />
+  <E value="0.0056064" />
+  <Tmin units="K"  value="11.98" />
+  <Tmax units="K"  value="81.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="144370" />
+  <B value="-45.964" />
+  <C value="9.0642" />
+  <D value="0.010184" />
+  <E value="-0.0000082901" />
+  <Tmin units="K"  value="83.99" />
+  <Tmax units="K"  value="385.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33579" />
+  <B value="-324.43" />
+  <C value="12.683" />
+  <D value="0.00063287" />
+  <E value="-2.0243E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24143" />
+  <B value="-309.97" />
+  <C value="-36.759" />
+  <D value="-3835.1" />
+  <E value="5611.3" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="1955" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.952" />
+  <B value="1255.2" />
+  <C value="0.89405" />
+  <D value="-0.0000015964" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000005037" />
+  <B value="0.54462" />
+  <C value="227.41" />
+  <D value="8.0354" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054333" />
+  <B value="2.0859" />
+  <C value="-1.4922" />
+  <D value="-0.00079317" />
+  <E value="-0.0000012037" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019733" />
+  <B value="1.2301" />
+  <C value="-158.93" />
+  <D value="129950" />
+  <Tmin units="K"  value="362.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013919" />
+  <B value="16.742" />
+  <C value="-2.9807" />
+  <D value="-0.00044342" />
+  <E value="-0.0000038565" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="517.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-35869" />
+  <B value="804.08" />
+  <C value="-0.53662" />
+  <D value="0.00018516" />
+  <E value="-2.6024E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.174" />
+  <B value="3137.4" />
+  <C value="-38.214" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="537.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0645" />
+  <B value="-0.018776" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="362.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.011665E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.8926" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18338" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0536701" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.699521" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.297" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14505" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1726" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.388" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001338" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.27172" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.297" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14820" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14505" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="565-59-3" />
+<Smiles name="SMILES"  value="CC(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="23" />
+<CompoundID name="Name"  value="2,4-dimethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="519.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4175" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="353.62" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="153.908" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="153.912" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0066994" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14995" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.931E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.097E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0167E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3310000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="397000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6845000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98683" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.454E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8066" />
+  <B value="-0.0070643" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.56" />
+  <Tmax units="K"  value="153.91" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49944" />
+  <B value="0.24101" />
+  <C value="519.81" />
+  <D value="0.23086" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="519.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="86.23433" />
+  <B value="-6498.287" />
+  <C value="-9.772628" />
+  <D value="8.133363E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="519.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.636917E+07" />
+  <B value="1.083678" />
+  <C value="-0.919235" />
+  <D value="0.1428" />
+  <E value="0.13605" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="500.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12608" />
+  <B value="1762.6" />
+  <C value="-13.048" />
+  <D value="0.063651" />
+  <E value="-0.00007828" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="153.97" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90283" />
+  <B value="22.117" />
+  <C value="10.293" />
+  <D value="0.0058192" />
+  <E value="-0.0000033296" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66100" />
+  <B value="-427.67" />
+  <C value="12.876" />
+  <D value="0.00036594" />
+  <E value="-1.1245E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24162" />
+  <B value="-300.13" />
+  <C value="-33.208" />
+  <D value="-3009.2" />
+  <E value="4339.2" />
+  <Tmin units="K"  value="259.89" />
+  <Tmax units="K"  value="1898" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.849" />
+  <B value="1204.5" />
+  <C value="0.70216" />
+  <D value="-0.0000021284" />
+  <E value="2" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8633E-07" />
+  <B value="0.67603" />
+  <C value="100.62" />
+  <D value="-68.047" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10048" />
+  <B value="3.798" />
+  <C value="-1.3824" />
+  <D value="-0.00040413" />
+  <E value="-0.0000011783" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0002569" />
+  <B value="0.9033" />
+  <C value="147.33" />
+  <D value="182490" />
+  <Tmin units="K"  value="353.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012625" />
+  <B value="19.642" />
+  <C value="-3.0872" />
+  <D value="-0.00025299" />
+  <E value="-0.0000045089" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="500.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-26049" />
+  <B value="814.18" />
+  <C value="-0.5747" />
+  <D value="0.00020154" />
+  <E value="-2.0786E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.806" />
+  <B value="2858.9" />
+  <C value="-45.57" />
+  <Tmin units="K"  value="314.93" />
+  <Tmax units="K"  value="463.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3132" />
+  <B value="-0.018947" />
+  <Tmin units="K"  value="153.91" />
+  <Tmax units="K"  value="353.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.863866E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.6761" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47506" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0543304" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.676494" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14995" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1726" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.388" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000811" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0567" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14995" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-08-7" />
+<Smiles name="SMILES"  value="CC(C)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="24" />
+<CompoundID name="Name"  value="3,3-dimethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4141" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="359.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="138.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="138.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000229687" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1454" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.269" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.768E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07847" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.118E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.0146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2719600" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="398150" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7066780" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45458E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.356" />
+  <B value="-0.0082936" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.48" />
+  <Tmax units="K"  value="138.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.57981" />
+  <B value="0.25238" />
+  <C value="536.41" />
+  <D value="0.28345" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="536.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="74.58125" />
+  <B value="-6059.883" />
+  <C value="-7.986446" />
+  <D value="6.250113E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="536.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.254E+07" />
+  <B value="1.1834" />
+  <C value="-1.8011" />
+  <D value="1.5275" />
+  <E value="-0.48856" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="515.47" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10707" />
+  <B value="1309.2" />
+  <C value="-1.4394" />
+  <D value="-0.047767" />
+  <E value="0.00027764" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="138.75" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122500" />
+  <B value="86.779" />
+  <C value="8.7861" />
+  <D value="0.0099608" />
+  <E value="-0.0000069264" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67595" />
+  <B value="-428.94" />
+  <C value="12.79" />
+  <D value="0.00052141" />
+  <E value="-1.6453E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23671" />
+  <B value="-275.05" />
+  <C value="-39.954" />
+  <D value="-5103.8" />
+  <E value="7728.1" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.1051" />
+  <B value="998.94" />
+  <C value="-0.73694" />
+  <D value="0.0000026961" />
+  <E value="2" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.3561E-07" />
+  <B value="0.48169" />
+  <C value="385.32" />
+  <D value="9.0702" />
+  <Tmin units="K"  value="359.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050708" />
+  <B value="3.465" />
+  <C value="-1.5874" />
+  <D value="-0.00046821" />
+  <E value="-0.000001622" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000069501" />
+  <B value="1.0643" />
+  <C value="-68.32" />
+  <D value="160740" />
+  <Tmin units="K"  value="359.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012361" />
+  <B value="17.687" />
+  <C value="-3.0268" />
+  <D value="-0.00037187" />
+  <E value="-0.0000042897" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="515.47" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3990.9" />
+  <B value="610.41" />
+  <C value="-0.061527" />
+  <D value="-0.00029616" />
+  <E value="1.5149E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.798" />
+  <B value="2942.1" />
+  <C value="-41.889" />
+  <Tmin units="K"  value="325.25" />
+  <Tmax units="K"  value="477.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.473" />
+  <B value="-0.020618" />
+  <Tmin units="K"  value="138.7" />
+  <Tmax units="K"  value="359.21" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425834" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.576266E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.3011" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.41501" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0543081" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.696441" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.269" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1454" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1727" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004779" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.77243" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.269" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1454" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="562-49-2" />
+<Smiles name="SMILES"  value="CCC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="25" />
+<CompoundID name="Name"  value="2,2,3-trimethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)3CCH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="531.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3976" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="354.01" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="248.253" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="248.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="914.054" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.204" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14615" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.96E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07846" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.117E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.04765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4600000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="383340" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2261030" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90201" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.45223E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.2018" />
+  <B value="-0.0041183" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.43" />
+  <Tmax units="K"  value="248.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.36152" />
+  <B value="0.20413" />
+  <C value="531.16" />
+  <D value="0.1958" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="68.92285" />
+  <B value="-5729.492" />
+  <C value="-7.139255" />
+  <D value="5.482993E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="532.22" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4282E+07" />
+  <B value="0.37696" />
+  <C value="0.13995" />
+  <D value="-0.28638" />
+  <E value="0.1473" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-88737" />
+  <B value="3960" />
+  <C value="-26.907" />
+  <D value="0.088352" />
+  <E value="-0.00010431" />
+  <Tmin units="K"  value="109.37" />
+  <Tmax units="K"  value="248.58" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95157" />
+  <B value="-51.889" />
+  <C value="10.538" />
+  <D value="0.0057229" />
+  <E value="-0.0000043706" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64561" />
+  <B value="-425.21" />
+  <C value="12.779" />
+  <D value="0.00055174" />
+  <E value="-1.7221E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.14216" />
+  <B value="-209.59" />
+  <C value="-43.536" />
+  <D value="-1884.6" />
+  <E value="974.47" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.143" />
+  <B value="240.01" />
+  <C value="-4.2433" />
+  <D value="0.0000080652" />
+  <E value="2" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5825E-08" />
+  <B value="0.78963" />
+  <C value="152.98" />
+  <D value="-29510" />
+  <Tmin units="K"  value="343.45" />
+  <Tmax units="K"  value="535.25" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.044619" />
+  <B value="-214.12" />
+  <C value="0.30167" />
+  <D value="-0.0096656" />
+  <E value="0.0000053979" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030164" />
+  <B value="1.1874" />
+  <C value="-102.65" />
+  <D value="141040" />
+  <Tmin units="K"  value="354.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.029346" />
+  <B value="-148.89" />
+  <C value="-1.2217" />
+  <D value="-0.0050964" />
+  <E value="0.0000023937" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="531.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5911.6" />
+  <B value="611.63" />
+  <C value="-0.083727" />
+  <D value="-0.00025093" />
+  <E value="1.3162E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.742" />
+  <B value="2891.8" />
+  <C value="-40.291" />
+  <Tmin units="K"  value="320.3" />
+  <Tmax units="K"  value="472.71" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9222" />
+  <B value="-0.01192" />
+  <Tmin units="K"  value="248.57" />
+  <Tmax units="K"  value="354.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.425775" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.722577E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.8922" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.26" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.33657" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0538741" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.694069" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14615" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.1719" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.468" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.64331" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14615" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="464-06-2" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="28" />
+<CompoundID name="Name"  value="2-methylheptane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="559.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2480000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4882" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="164.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="164.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0010587" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16463" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.378" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.57E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.154E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.18E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459570" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.1878E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0962" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06933E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7811" />
+  <B value="-0.005901" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="65.66" />
+  <Tmax units="K"  value="164.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40246" />
+  <B value="0.22797" />
+  <C value="559.66" />
+  <D value="0.23428" />
+  <Tmin units="K"  value="164.15" />
+  <Tmax units="K"  value="559.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.9971" />
+  <B value="-7746.664" />
+  <C value="-11.37588" />
+  <D value="8.143433E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="559.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.657838E+07" />
+  <B value="1.352117" />
+  <C value="-1.871983" />
+  <D value="1.354613" />
+  <E value="-0.391149" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="544" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18952" />
+  <B value="1822.8" />
+  <C value="-7.7108" />
+  <D value="0.011722" />
+  <E value="0.000030044" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="164.19" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66821" />
+  <B value="33.207" />
+  <C value="11.285" />
+  <D value="0.0021902" />
+  <E value="8.6142E-07" />
+  <Tmin units="K"  value="164" />
+  <Tmax units="K"  value="530" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108850" />
+  <B value="-612.4" />
+  <C value="13.327" />
+  <D value="-0.0000091854" />
+  <E value="-2.9587E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27395" />
+  <B value="-342.75" />
+  <C value="-53.371" />
+  <D value="-19390" />
+  <E value="42045" />
+  <Tmin units="K"  value="279.82" />
+  <Tmax units="K"  value="1785.82" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.3762" />
+  <B value="968.16" />
+  <C value="-0.65227" />
+  <D value="0.0000018143" />
+  <E value="2" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5347E-07" />
+  <B value="0.55194" />
+  <C value="231.19" />
+  <D value="-1256.6" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.00038221" />
+  <B value="38.981" />
+  <C value="-2.075" />
+  <D value="0.00062625" />
+  <E value="-0.0000038423" />
+  <Tmin units="K"  value="164.15" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000048089" />
+  <B value="1.0964" />
+  <C value="-142.76" />
+  <D value="170130" />
+  <Tmin units="K"  value="390.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014212" />
+  <B value="12.912" />
+  <C value="-2.9385" />
+  <D value="-0.00062163" />
+  <E value="-0.0000032482" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="538.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="43709" />
+  <B value="342.46" />
+  <C value="0.80975" />
+  <D value="-0.0013047" />
+  <E value="5.4626E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.942" />
+  <B value="3153.9" />
+  <C value="-55.828" />
+  <Tmin units="K"  value="336.84" />
+  <Tmax units="K"  value="503.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8962" />
+  <B value="-0.015367" />
+  <Tmin units="K"  value="164.16" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.398487E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.2166" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.42249" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616339" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.702794" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.378" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16463" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002094" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.83669" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.378" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16463" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-27-8" />
+<Smiles name="SMILES"  value="CC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="29" />
+<CompoundID name="Name"  value="3-methylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2550000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4711" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.08" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000523002" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16278" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.49E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1251E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.275E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="465510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.163E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0872" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0721E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8888" />
+  <B value="-0.0064444" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="61.04" />
+  <Tmax units="K"  value="152.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48768" />
+  <B value="0.25064" />
+  <C value="563.66" />
+  <D value="0.24544" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="563.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.76732" />
+  <B value="-7652.539" />
+  <C value="-10.86325" />
+  <D value="7.450521E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="563.67" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.899021E+07" />
+  <B value="1.39863" />
+  <C value="-1.771662" />
+  <D value="1.093723" />
+  <E value="-0.270846" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="548" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22283" />
+  <B value="1860.6" />
+  <C value="-6.4838" />
+  <D value="-0.0071294" />
+  <E value="0.00010229" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="152.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137930" />
+  <B value="50.329" />
+  <C value="9.9028" />
+  <D value="0.0059467" />
+  <E value="-0.0000024618" />
+  <Tmin units="K"  value="107.25" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="103080" />
+  <B value="-583.42" />
+  <C value="13.271" />
+  <D value="0.000052348" />
+  <E value="-2.126E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32697" />
+  <B value="-423.7" />
+  <C value="-35.42" />
+  <D value="-43617" />
+  <E value="102800" />
+  <Tmin units="K"  value="281.8" />
+  <Tmax units="K"  value="1799.84" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.3817" />
+  <B value="976.23" />
+  <C value="-0.66335" />
+  <D value="0.0000021183" />
+  <E value="2" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="392.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000069865" />
+  <B value="0.21161" />
+  <C value="854.03" />
+  <D value="-2592.5" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043161" />
+  <B value="22.706" />
+  <C value="-1.6829" />
+  <D value="-0.000063735" />
+  <E value="-0.0000020484" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042535" />
+  <B value="1.1138" />
+  <C value="-151.71" />
+  <D value="168420" />
+  <Tmin units="K"  value="392.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010132" />
+  <B value="18.511" />
+  <C value="-3.0971" />
+  <D value="-0.000087581" />
+  <E value="-0.0000046928" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="541.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="950.75" />
+  <B value="729.2" />
+  <C value="-0.35201" />
+  <D value="0.000060241" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.965" />
+  <B value="3188.8" />
+  <C value="-54.285" />
+  <Tmin units="K"  value="342.54" />
+  <Tmax units="K"  value="506" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4083" />
+  <B value="-0.017071" />
+  <Tmin units="K"  value="152.6" />
+  <Tmax units="K"  value="392.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.554483E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.2871" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46447" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06101" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.709859" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16278" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004039" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98948" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.371" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16278" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-81-1" />
+<Smiles name="SMILES"  value="CCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="30" />
+<CompoundID name="Name"  value="4-methylheptane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(CH3)(CH2)2CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2540000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.476" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.86" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.19" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000457034" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16306" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.52E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0887" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1196E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.571E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0902" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07282E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8808" />
+  <B value="-0.0059952" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.88" />
+  <Tmax units="K"  value="152.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41247" />
+  <B value="0.23007" />
+  <C value="561.76" />
+  <D value="0.23229" />
+  <Tmin units="K"  value="152.15" />
+  <Tmax units="K"  value="561.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.33843" />
+  <B value="-7742.706" />
+  <C value="-11.25952" />
+  <D value="7.843366E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="561.74" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.797167E+07" />
+  <B value="1.151616" />
+  <C value="-0.835173" />
+  <D value="-0.171743" />
+  <E value="0.314726" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="540.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="561.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123600" />
+  <B value="-18.717" />
+  <C value="11.067" />
+  <D value="0.0020327" />
+  <E value="0.0000016218" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="530" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100250" />
+  <B value="-569.74" />
+  <C value="13.266" />
+  <D value="0.000060406" />
+  <E value="-2.5661E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26872" />
+  <B value="-336.78" />
+  <C value="-55.297" />
+  <D value="-13650" />
+  <E value="26132" />
+  <Tmin units="K"  value="280.85" />
+  <Tmax units="K"  value="1792.87" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.11" />
+  <B value="1066.3" />
+  <C value="-0.039384" />
+  <D value="1.7455E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="390.86" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000043616" />
+  <B value="0.27023" />
+  <C value="695.06" />
+  <D value="-2959.1" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096483" />
+  <B value="12.321" />
+  <C value="-1.3603" />
+  <D value="-0.00031289" />
+  <E value="-0.0000012186" />
+  <Tmin units="K"  value="152.15" />
+  <Tmax units="K"  value="503.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000040274" />
+  <B value="1.1204" />
+  <C value="-164.18" />
+  <D value="166050" />
+  <Tmin units="K"  value="390.86" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015124" />
+  <B value="11.813" />
+  <C value="-2.8959" />
+  <D value="-0.000703" />
+  <E value="-0.0000030068" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="540.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="18142" />
+  <B value="522.38" />
+  <C value="0.36742" />
+  <D value="-0.00083319" />
+  <E value="3.6234E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.935" />
+  <B value="3153.8" />
+  <C value="-55.685" />
+  <Tmin units="K"  value="341.5" />
+  <Tmax units="K"  value="503.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4371" />
+  <B value="-0.017141" />
+  <Tmin units="K"  value="152.2" />
+  <Tmax units="K"  value="390.86" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486849" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.370341E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.3328" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46166" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0611736" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.710283" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16306" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.00287" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95432" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.371" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16306" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-53-7" />
+<Smiles name="SMILES"  value="CCCC(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="31" />
+<CompoundID name="Name"  value="3-ethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(C2H5)CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2610000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4605" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.69" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16101" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.362" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.571E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08871" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.233E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.10874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.68615E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457860" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.02158" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07398E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.46" />
+  <B value="-2.5002E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.46206" />
+  <B value="0.24436" />
+  <C value="565.51" />
+  <D value="0.22747" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.09596" />
+  <B value="-7733.566" />
+  <C value="-11.22583" />
+  <D value="7.810756E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4799E+07" />
+  <B value="0.26737" />
+  <C value="0.81877" />
+  <D value="-1.2904" />
+  <E value="0.59915" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="550.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="565.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80628" />
+  <B value="-64.909" />
+  <C value="11.186" />
+  <D value="0.0048319" />
+  <E value="-0.0000040172" />
+  <Tmin units="K"  value="166.11" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115160" />
+  <B value="-618.28" />
+  <C value="13.279" />
+  <D value="0.0000464" />
+  <E value="-2.6202E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27373" />
+  <B value="-345.24" />
+  <C value="-56.178" />
+  <D value="-8141.6" />
+  <E value="10145" />
+  <Tmin units="K"  value="282.7" />
+  <Tmax units="K"  value="1806.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8742" />
+  <B value="897.68" />
+  <C value="-0.5066" />
+  <D value="2.0784E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7627E-07" />
+  <B value="0.57415" />
+  <C value="196.9" />
+  <D value="-172.94" />
+  <Tmin units="K"  value="391.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.001637" />
+  <B value="-138.28" />
+  <C value="-0.62782" />
+  <D value="-0.0040963" />
+  <E value="8.9774E-07" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000056588" />
+  <B value="1.0789" />
+  <C value="-123.05" />
+  <D value="173090" />
+  <Tmin units="K"  value="391.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.044466" />
+  <B value="-81.024" />
+  <C value="-1.6153" />
+  <D value="-0.0032549" />
+  <E value="0.0000014934" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="550.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="59681" />
+  <B value="280.36" />
+  <C value="0.8618" />
+  <D value="-0.0012731" />
+  <E value="5.0619E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.025" />
+  <B value="3214.3" />
+  <C value="-53.307" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="565.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.7324" />
+  <B value="-0.010064" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="391.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486909" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.497393E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.1216" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603593" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.716248" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.362" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16101" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8478" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.932" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.362" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16101" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="619-99-8" />
+<Smiles name="SMILES"  value="CCC(CC)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="32" />
+<CompoundID name="Name"  value="2,2-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="151.97" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="151.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000215228" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16529" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.339" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.392E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14580" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.24723E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.0711E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432710" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6778080" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0429" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06247E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8856" />
+  <B value="-0.0064827" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.79" />
+  <Tmax units="K"  value="151.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54681" />
+  <B value="0.26386" />
+  <C value="549.8" />
+  <D value="0.27774" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.06922" />
+  <B value="-7328.821" />
+  <C value="-10.84298" />
+  <D value="7.99047E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.211522E+07" />
+  <B value="1.000418" />
+  <C value="-0.588989" />
+  <D value="-0.277913" />
+  <E value="0.313577" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="549.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125360" />
+  <B value="373.89" />
+  <C value="5.844" />
+  <D value="0.022419" />
+  <E value="-0.00002308" />
+  <Tmin units="K"  value="192.43" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97647" />
+  <B value="-528.4" />
+  <C value="13.112" />
+  <D value="0.00027844" />
+  <E value="-9.0187E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2681" />
+  <B value="-314.72" />
+  <C value="-51.398" />
+  <D value="-8276.4" />
+  <E value="13167" />
+  <Tmin units="K"  value="274.9" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.328" />
+  <B value="1166.6" />
+  <C value="-0.039718" />
+  <D value="2.6889E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018535" />
+  <B value="0.38476" />
+  <C value="528.24" />
+  <D value="78.686" />
+  <Tmin units="K"  value="379.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03878" />
+  <B value="5.2314" />
+  <C value="-1.6985" />
+  <D value="-0.00038448" />
+  <E value="-0.000001806" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000045965" />
+  <B value="1.1142" />
+  <C value="-113.91" />
+  <D value="162780" />
+  <Tmin units="K"  value="379.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011295" />
+  <B value="24.139" />
+  <C value="-3.1748" />
+  <D value="0.000033195" />
+  <E value="-0.0000045811" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="549.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="28702" />
+  <B value="459.14" />
+  <C value="0.50436" />
+  <D value="-0.00093712" />
+  <E value="3.9344E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.822" />
+  <B value="3046.8" />
+  <C value="-52.24" />
+  <Tmin units="K"  value="331.23" />
+  <Tmax units="K"  value="490.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.7156" />
+  <B value="-0.019243" />
+  <Tmin units="K"  value="151.97" />
+  <Tmax units="K"  value="379.99" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.180576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="301.1639" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.47174" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.061412" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.700157" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.339" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16529" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000599" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0203" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.339" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14580" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16529" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-73-8" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="33" />
+<CompoundID name="Name"  value="2,3-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH3)CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2630000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4682" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.76" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16131" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.347" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.363E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.13886E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.50206E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0586" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07176E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.46" />
+  <B value="-2.5002E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48655" />
+  <B value="0.24924" />
+  <C value="563.43" />
+  <D value="0.24533" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.42" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="106.31" />
+  <B value="-8083.9" />
+  <C value="-12.636" />
+  <D value="0.000008991" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5877E+07" />
+  <B value="0.44475" />
+  <C value="0.4503" />
+  <D value="-0.98905" />
+  <E value="0.49662" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="548.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="563.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-256410" />
+  <B value="53.354" />
+  <C value="11.988" />
+  <D value="0.00458" />
+  <E value="-0.0000045457" />
+  <Tmin units="K"  value="138.5" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55247" />
+  <B value="-379.2" />
+  <C value="12.913" />
+  <D value="0.00048944" />
+  <E value="-1.5722E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27351" />
+  <B value="-363.66" />
+  <C value="-49.524" />
+  <D value="-11049" />
+  <E value="21772" />
+  <Tmin units="K"  value="281.7" />
+  <Tmax units="K"  value="1799.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.0389" />
+  <B value="480.9" />
+  <C value="-3.1555" />
+  <D value="0.0000074225" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4497E-07" />
+  <B value="0.56168" />
+  <C value="244.71" />
+  <D value="41.585" />
+  <Tmin units="K"  value="388.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0041864" />
+  <B value="-133.36" />
+  <C value="-0.65326" />
+  <D value="-0.003975" />
+  <E value="8.3867E-07" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000025619" />
+  <B value="1.1862" />
+  <C value="-177.9" />
+  <D value="153600" />
+  <Tmin units="K"  value="388.76" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.05024" />
+  <B value="1.1882" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="563.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-29882" />
+  <B value="839.62" />
+  <C value="-0.40575" />
+  <D value="-0.000028435" />
+  <E value="6.5601E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.01" />
+  <B value="3204.6" />
+  <C value="-50.852" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="563.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.8925" />
+  <B value="-0.0092431" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="388.76" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.196288E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="300.3107" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.50585" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0607317" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.715524" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.347" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16131" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002424" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0396" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15020" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16131" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="584-94-1" />
+<Smiles name="SMILES"  value="CC(C)C(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="34" />
+<CompoundID name="Name"  value="2,4-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2560000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.472" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.58" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16408" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.344" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.267E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14650" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.19409E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.17152E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0474" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06733E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.32" />
+  <B value="-8.5435E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49412" />
+  <B value="0.25086" />
+  <C value="553.5" />
+  <D value="0.26728" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.45" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.28" />
+  <B value="-8135.7" />
+  <C value="-13.268" />
+  <D value="0.0000097316" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4006E+07" />
+  <B value="0.43973" />
+  <C value="0.30966" />
+  <D value="-0.70429" />
+  <E value="0.35515" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="538.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="553.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-373730" />
+  <B value="38.479" />
+  <C value="12.478" />
+  <D value="0.0035274" />
+  <E value="-0.0000034858" />
+  <Tmin units="K"  value="137.68" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68028" />
+  <B value="-390.94" />
+  <C value="12.9" />
+  <D value="0.00049032" />
+  <E value="-1.6117E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27345" />
+  <B value="-357.14" />
+  <C value="-46.872" />
+  <D value="-11112" />
+  <E value="22737" />
+  <Tmin units="K"  value="276.75" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.459" />
+  <B value="1208.2" />
+  <C value="0.16649" />
+  <D value="-2.1296E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013835" />
+  <B value="0.41886" />
+  <C value="453.95" />
+  <D value="-1216.3" />
+  <Tmin units="K"  value="382.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012272" />
+  <B value="-146.3" />
+  <C value="-0.49024" />
+  <D value="-0.0043592" />
+  <E value="0.0000013669" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028277" />
+  <B value="1.1747" />
+  <C value="-150.01" />
+  <D value="140960" />
+  <Tmin units="K"  value="382.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040538" />
+  <B value="-89.906" />
+  <C value="-1.6196" />
+  <D value="-0.0034572" />
+  <E value="0.0000015869" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="553.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-28036" />
+  <B value="903.33" />
+  <C value="-0.60421" />
+  <D value="0.00018092" />
+  <E value="-8.5639E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.948" />
+  <B value="3123.7" />
+  <C value="-51.012" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1397" />
+  <B value="-0.011142" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="382.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.215704E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.0337" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.46325" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616382" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.701075" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.344" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16408" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001943" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.99872" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.344" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14650" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16408" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-43-5" />
+<Smiles name="SMILES"  value="CC(C)CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="35" />
+<CompoundID name="Name"  value="2,5-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH2CH2CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="550" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2490000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0683715" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1657" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.357" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.452E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14740" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.22631E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.046E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442330" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.29537E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0696" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06398E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6373" />
+  <B value="-0.0052793" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.8" />
+  <Tmax units="K"  value="182" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49779" />
+  <B value="0.2525" />
+  <C value="550" />
+  <D value="0.26429" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.65473" />
+  <B value="-7122.285" />
+  <C value="-9.843559" />
+  <D value="7.04047E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2389E+07" />
+  <B value="1.0017" />
+  <C value="-0.72582" />
+  <D value="-0.024698" />
+  <E value="0.19155" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="550" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-51796" />
+  <B value="-110.09" />
+  <C value="12.759" />
+  <D value="0.00089408" />
+  <E value="-0.0000004354" />
+  <Tmin units="K"  value="208.7" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66542" />
+  <B value="-399.08" />
+  <C value="12.9" />
+  <D value="0.00049831" />
+  <E value="-1.6255E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27338" />
+  <B value="-354.69" />
+  <C value="-46.241" />
+  <D value="-8382" />
+  <E value="15583" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.9399" />
+  <B value="836.45" />
+  <C value="-1.3966" />
+  <D value="0.00000447" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.3872E-07" />
+  <B value="0.47833" />
+  <C value="344.26" />
+  <D value="27.957" />
+  <Tmin units="K"  value="382.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074336" />
+  <B value="3.6543" />
+  <C value="-1.5091" />
+  <D value="-0.00039812" />
+  <E value="-0.0000013255" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000029331" />
+  <B value="1.1695" />
+  <C value="-138.07" />
+  <D value="145330" />
+  <Tmin units="K"  value="382.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092168" />
+  <B value="46.652" />
+  <C value="-3.4804" />
+  <D value="0.0011019" />
+  <E value="-0.0000063095" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="550" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11366" />
+  <B value="725.73" />
+  <C value="-0.14958" />
+  <D value="-0.00027795" />
+  <E value="0.0000001544" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.777" />
+  <B value="3002.6" />
+  <C value="-57.773" />
+  <Tmin units="K"  value="333.13" />
+  <Tmax units="K"  value="491.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9193" />
+  <B value="-0.01228" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="382.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.299601E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.1748" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.48407" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0616138" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.698238" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.357" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1657" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001621" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.0187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.357" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1657" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="592-13-2" />
+<Smiles name="SMILES"  value="CC(C)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="36" />
+<CompoundID name="Name"  value="3,3-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="385.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="147.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="147.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000473645" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16181" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.32" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.717E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14880" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2012E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.32633E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="438230" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7112800" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9621" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.06682E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9019" />
+  <B value="-0.006722" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="58.82" />
+  <Tmax units="K"  value="147.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45959" />
+  <B value="0.24567" />
+  <C value="562" />
+  <D value="0.21162" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="561.95" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.95" />
+  <B value="-8119.3" />
+  <C value="-13.232" />
+  <D value="0.0000097251" />
+  <E value="2" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="562" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8755E+07" />
+  <B value="0.81257" />
+  <C value="-0.27217" />
+  <D value="-0.51422" />
+  <E value="0.40803" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="540.16" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="562" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130950" />
+  <B value="-54.41" />
+  <C value="9.7102" />
+  <D value="0.0098373" />
+  <E value="-0.0000089507" />
+  <Tmin units="K"  value="226.41" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73854" />
+  <B value="-426.62" />
+  <C value="12.974" />
+  <D value="0.00044554" />
+  <E value="-1.4645E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26895" />
+  <B value="-323.28" />
+  <C value="-54.431" />
+  <D value="-10397" />
+  <E value="17361" />
+  <Tmin units="K"  value="281" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.0202" />
+  <B value="924.42" />
+  <C value="-0.69061" />
+  <D value="0.0000021821" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9286E-07" />
+  <B value="0.65784" />
+  <C value="75.166" />
+  <D value="8686.9" />
+  <Tmin units="K"  value="385.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074777" />
+  <B value="3.6654" />
+  <C value="-1.4953" />
+  <D value="-0.00045709" />
+  <E value="-0.000001113" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028072" />
+  <B value="1.1786" />
+  <C value="-168.43" />
+  <D value="151580" />
+  <Tmin units="K"  value="385.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013471" />
+  <B value="13.363" />
+  <C value="-2.98" />
+  <D value="-0.00049832" />
+  <E value="-0.0000034578" />
+  <Tmin units="K"  value="147.05" />
+  <Tmax units="K"  value="540.16" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17402" />
+  <B value="785.55" />
+  <C value="-0.23347" />
+  <D value="-0.00023372" />
+  <E value="1.5099E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.871" />
+  <B value="3143.9" />
+  <C value="-48.698" />
+  <Tmin units="K"  value="343.14" />
+  <Tmax units="K"  value="503.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4713" />
+  <B value="-0.013535" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="385.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.470891E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.2065" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0599069" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.713866" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.32" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.16181" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001728" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.32" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14880" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.16181" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="563-16-6" />
+<Smiles name="SMILES"  value="CCC(C)(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="37" />
+<CompoundID name="Name"  value="3,4-dimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4588" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.88" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15973" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.23E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.13007E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.674E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451580" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0404" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07251E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.54" />
+  <B value="-6.8305E-18" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45439" />
+  <B value="0.24011" />
+  <C value="568.8" />
+  <D value="0.23618" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.78" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.68625" />
+  <B value="-7521.509" />
+  <C value="-10.73445" />
+  <D value="7.52569E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4702E+07" />
+  <B value="0.45918" />
+  <C value="0.1856" />
+  <D value="-0.51513" />
+  <E value="0.26338" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.18" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="568.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-327870" />
+  <B value="47.226" />
+  <C value="12.229" />
+  <D value="0.0041484" />
+  <E value="-0.000004128" />
+  <Tmin units="K"  value="138.78" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="34075" />
+  <B value="-331.34" />
+  <C value="12.881" />
+  <D value="0.00054108" />
+  <E value="-1.7153E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27419" />
+  <B value="-368.34" />
+  <C value="-50.667" />
+  <D value="-11826" />
+  <E value="23331" />
+  <Tmin units="K"  value="284.4" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.742" />
+  <B value="2125.1" />
+  <C value="4.8163" />
+  <D value="-0.0000056466" />
+  <E value="2" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.4152E-07" />
+  <B value="0.51789" />
+  <C value="310.46" />
+  <D value="157.69" />
+  <Tmin units="K"  value="390.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0004002" />
+  <B value="-144.47" />
+  <C value="-0.57247" />
+  <D value="-0.0042745" />
+  <E value="0.0000010836" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000020807" />
+  <B value="1.2133" />
+  <C value="-200.76" />
+  <D value="152640" />
+  <Tmin units="K"  value="390.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.064052" />
+  <B value="-52.814" />
+  <C value="-1.681" />
+  <D value="-0.0023574" />
+  <E value="0.0000011157" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="553.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-51117" />
+  <B value="968.82" />
+  <C value="-0.69434" />
+  <D value="0.00024619" />
+  <E value="-2.8602E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.796538" />
+  <B value="-1200" />
+  <C value="-7.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.996" />
+  <B value="3219" />
+  <C value="-50.972" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="568.8" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.9827" />
+  <B value="-0.0089632" />
+  <Tmin units="K"  value="272.04" />
+  <Tmax units="K"  value="390.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.083117E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.5716" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44525" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603305" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.723382" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15973" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001744" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.91017" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15973" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="583-48-2" />
+<Smiles name="SMILES"  value="CCC(C)C(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="38" />
+<CompoundID name="Name"  value="2-methyl-3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)CH(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4453" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="388.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000447428" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15972" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.181E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.232E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.11208E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.87861E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="443760" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13386E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97631" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.07477E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9908" />
+  <B value="-0.0063143" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.28" />
+  <Tmax units="K"  value="158.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54567" />
+  <B value="0.26412" />
+  <C value="567.03" />
+  <D value="0.24308" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="567.02" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.12933" />
+  <B value="-7403.468" />
+  <C value="-10.51119" />
+  <D value="7.396006E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="567.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9697E+07" />
+  <B value="0.73134" />
+  <C value="0.033175" />
+  <D value="-0.91459" />
+  <E value="0.58962" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="545.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="567" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="11076" />
+  <B value="-131.1" />
+  <C value="12.479" />
+  <D value="0.0013888" />
+  <E value="-7.3844E-07" />
+  <Tmin units="K"  value="173.57" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86476" />
+  <B value="-441" />
+  <C value="12.894" />
+  <D value="0.00051253" />
+  <E value="-1.9205E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2727" />
+  <B value="-363.94" />
+  <C value="-51.79" />
+  <D value="-4127.4" />
+  <E value="2402.8" />
+  <Tmin units="K"  value="283.5" />
+  <Tmax units="K"  value="1813.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.931" />
+  <B value="1059.8" />
+  <C value="-0.066598" />
+  <D value="1.3283E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.6587E-07" />
+  <B value="0.52506" />
+  <C value="255.1" />
+  <D value="-76.481" />
+  <Tmin units="K"  value="388.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.069311" />
+  <B value="4.0311" />
+  <C value="-1.5221" />
+  <D value="-0.00039448" />
+  <E value="-0.0000012799" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000026967" />
+  <B value="1.1845" />
+  <C value="-133.92" />
+  <D value="140280" />
+  <Tmin units="K"  value="388.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013529" />
+  <B value="15.88" />
+  <C value="-2.9699" />
+  <D value="-0.00045495" />
+  <E value="-0.0000035111" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="545.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-7258.5" />
+  <B value="791.48" />
+  <C value="-0.44225" />
+  <D value="0.000098111" />
+  <E value="0" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.899" />
+  <B value="3165.8" />
+  <C value="-51.044" />
+  <Tmin units="K"  value="343.26" />
+  <Tmax units="K"  value="503.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6297" />
+  <B value="-0.016398" />
+  <Tmin units="K"  value="158.2" />
+  <Tmax units="K"  value="388.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.378964E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0599464" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.723932" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15972" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.847" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.928" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002499" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15972" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="609-26-7" />
+<Smiles name="SMILES"  value="CC(C)C(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="39" />
+<CompoundID name="Name"  value="3-methyl-3-ethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)(CH2CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="576.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4551" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="391.42" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.28" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.28" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0625263" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15788" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.305" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.928E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0886999" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.253E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.1485E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.288E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432960" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93763" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9635" />
+  <B value="-0.0054551" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.91" />
+  <Tmax units="K"  value="182.28" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59884" />
+  <B value="0.27253" />
+  <C value="576.5" />
+  <D value="0.28169" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.77668" />
+  <B value="-7097.92" />
+  <C value="-9.572218" />
+  <D value="6.70781E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3775E+07" />
+  <B value="1.5194" />
+  <C value="-2.4569" />
+  <D value="2.0687" />
+  <E value="-0.69375" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="223200" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="576.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77769" />
+  <B value="172.95" />
+  <C value="9.182" />
+  <D value="0.01021" />
+  <E value="-0.0000086615" />
+  <Tmin units="K"  value="201.78" />
+  <Tmax units="K"  value="381.78" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89715" />
+  <B value="-509.11" />
+  <C value="13.135" />
+  <D value="0.00024858" />
+  <E value="-7.767E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28104" />
+  <B value="-352.27" />
+  <C value="-50.671" />
+  <D value="-6199.9" />
+  <E value="-111.85" />
+  <Tmin units="K"  value="249" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.59" />
+  <B value="1270.3" />
+  <C value="1.2467" />
+  <D value="-0.0000036226" />
+  <E value="2" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5822E-07" />
+  <B value="0.50218" />
+  <C value="361.22" />
+  <D value="-3635.6" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.037427" />
+  <B value="7.7785" />
+  <C value="-1.7161" />
+  <D value="-0.00028317" />
+  <E value="-0.0000017728" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000021773" />
+  <B value="1.2197" />
+  <C value="-136.64" />
+  <D value="138470" />
+  <Tmin units="K"  value="391.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010536" />
+  <B value="39.464" />
+  <C value="-3.2983" />
+  <D value="0.00058327" />
+  <E value="-0.0000050348" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="576.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11225" />
+  <B value="736.53" />
+  <C value="-0.16305" />
+  <D value="-0.00026099" />
+  <E value="1.4875E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="3242" />
+  <C value="-45.986" />
+  <Tmin units="K"  value="348.27" />
+  <Tmax units="K"  value="514.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9795" />
+  <B value="-0.014829" />
+  <Tmin units="K"  value="182.28" />
+  <Tmax units="K"  value="391.42" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486848" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.000576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.4539" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0603583" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.731726" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.305" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15788" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8471" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.012" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.004598" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.305" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15788" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="3" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1067-08-9" />
+<Smiles name="SMILES"  value="CCC(C)(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="44" />
+<CompoundID name="Name"  value="2,2,3,3-tetramethylbutane" />
+<StructureFormula name="Structure"  value="(CH3)3CC(CH3)3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="373.84" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="373.96" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="86930.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.231" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13902" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.248" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.8146E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="12790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08868" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.272E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.256E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.223E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="389360" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7540000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85792" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.0558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4225" />
+  <B value="-0.0044705" />
+  <C value="0.0035846" />
+  <D value="-0.0000082784" />
+  <E value="7.021E-09" />
+  <Tmin units="K"  value="183.15" />
+  <Tmax units="K"  value="373.96" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61397" />
+  <B value="0.27674" />
+  <C value="567.8" />
+  <D value="0.28198" />
+  <Tmin units="K"  value="367.55" />
+  <Tmax units="K"  value="557.79" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.66" />
+  <B value="-8500.6" />
+  <C value="-14.863" />
+  <D value="0.000010649" />
+  <E value="2" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="568" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3062E+07" />
+  <B value="0.30484" />
+  <C value="0.85323" />
+  <D value="-1.2161" />
+  <E value="0.48282" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="557.79" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-145070" />
+  <B value="3783.4" />
+  <C value="-18.811" />
+  <D value="0.04824" />
+  <E value="-0.000044479" />
+  <Tmin units="K"  value="130.05" />
+  <Tmax units="K"  value="365.79" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="239620" />
+  <B value="55.905" />
+  <C value="3.1054" />
+  <D value="0.027363" />
+  <E value="-0.000020376" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="426" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73914" />
+  <B value="-415.76" />
+  <C value="12.897" />
+  <D value="0.00056384" />
+  <E value="-1.6707E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27451" />
+  <B value="-340.85" />
+  <C value="-44.213" />
+  <D value="-18.617" />
+  <E value="-11352" />
+  <Tmin units="K"  value="284" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.538" />
+  <B value="1603.5" />
+  <C value="0.8804" />
+  <D value="-0.0000034564" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="454" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.9099E-07" />
+  <B value="0.51128" />
+  <C value="412.18" />
+  <D value="-5389.1" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0058143" />
+  <B value="-354.88" />
+  <C value="0.79351" />
+  <D value="-0.0067293" />
+  <E value="0.0000023134" />
+  <Tmin units="K"  value="373.96" />
+  <Tmax units="K"  value="426" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000012508" />
+  <B value="1.3068" />
+  <C value="-132.52" />
+  <D value="121650" />
+  <Tmin units="K"  value="379.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0045024" />
+  <B value="622.88" />
+  <C value="-8.8445" />
+  <D value="0.017204" />
+  <E value="-0.000023129" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="557.79" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6385.5" />
+  <B value="606.54" />
+  <C value="0.13794" />
+  <D value="-0.00052564" />
+  <E value="2.3996E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.509" />
+  <B value="2922.6" />
+  <C value="-54.055" />
+  <Tmin units="K"  value="374" />
+  <Tmax units="K"  value="506.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2178" />
+  <B value="-0.011395" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="454" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.486727" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.740172E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="379.208" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.28" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="168.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0605327" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.726041" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.248" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13902" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.088" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.035734" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.248" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="12790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13902" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="594-82-1" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="47" />
+<CompoundID name="Name"  value="2,2,5-trimethylhexane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2CH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="568.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.519" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.39" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.39" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000968629" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18225" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.658E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09892" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.387E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.533E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.38E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="461700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6200000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.047" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.66643E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.9031" />
+  <B value="-0.0051346" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.96" />
+  <Tmax units="K"  value="167.39" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45081" />
+  <B value="0.25256" />
+  <C value="569.81" />
+  <D value="0.27357" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="569.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.84" />
+  <B value="-9023.578" />
+  <C value="-17.08913" />
+  <D value="0.0000169305" />
+  <E value="2" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="569.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.039801E+07" />
+  <B value="1.702411" />
+  <C value="-1.574913" />
+  <D value="0.0056916" />
+  <E value="0.373292" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="548.62" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="568.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84566" />
+  <B value="233.86" />
+  <C value="8.46" />
+  <D value="0.013452" />
+  <E value="-0.000012421" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102010" />
+  <B value="-531.68" />
+  <C value="13.312" />
+  <D value="0.00017105" />
+  <E value="-4.7837E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30277" />
+  <B value="-381.25" />
+  <C value="-61.035" />
+  <D value="-9428.8" />
+  <E value="13429" />
+  <Tmin units="K"  value="247.39" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.084" />
+  <B value="1011.7" />
+  <C value="0.13186" />
+  <D value="-0.000000312" />
+  <E value="2" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7588E-07" />
+  <B value="0.49876" />
+  <C value="301.49" />
+  <D value="-1437" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13721" />
+  <B value="56.65" />
+  <C value="-1.9542" />
+  <D value="0.0024543" />
+  <E value="-0.0000043702" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030176" />
+  <B value="1.1642" />
+  <C value="-156.95" />
+  <D value="161470" />
+  <Tmin units="K"  value="397.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010292" />
+  <B value="28.787" />
+  <C value="-3.249" />
+  <D value="0.00020541" />
+  <E value="-0.0000047205" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="548.62" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11256" />
+  <B value="868.51" />
+  <C value="-0.4353" />
+  <D value="0.000083238" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.61" />
+  <B value="3036.5" />
+  <C value="-62.963" />
+  <Tmin units="K"  value="341.8" />
+  <Tmax units="K"  value="506.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5103" />
+  <B value="-0.014267" />
+  <Tmin units="K"  value="167.39" />
+  <Tmax units="K"  value="397.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.5501" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.728927E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="270.9221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.27819" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0679927" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.712422" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3571" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18225" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5207" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.548" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000017" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.67699" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3571" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18225" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3522-94-9" />
+<Smiles name="SMILES"  value="CC(C)(C)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="49" />
+<CompoundID name="Name"  value="2,4,4-trimethylhexane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="583" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.509" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="403.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.78" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.78" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000306827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.178125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.352203" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.432E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09892" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.387E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.403E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.5E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="468400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.13E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.1808" />
+  <B value="-0.0064001" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.91" />
+  <Tmax units="K"  value="159.78" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.098546" />
+  <B value="0.11862" />
+  <C value="583" />
+  <D value="0.15161" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.1127" />
+  <B value="-9541.532" />
+  <C value="-18.4559" />
+  <D value="0.0000171318" />
+  <E value="2" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5551E+07" />
+  <B value="0.63316" />
+  <C value="-0.60532" />
+  <D value="0.59593" />
+  <E value="-0.24062" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="583" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="36795" />
+  <B value="-79.414" />
+  <C value="11.689" />
+  <D value="0.0041098" />
+  <E value="-0.0000031494" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="403.81" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84170" />
+  <B value="-452.22" />
+  <C value="13.167" />
+  <D value="0.00035197" />
+  <E value="-1.1076E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33299" />
+  <B value="-391.8" />
+  <C value="-66.527" />
+  <D value="-6374" />
+  <E value="-5982.8" />
+  <Tmin units="K"  value="290.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.9748" />
+  <B value="1194.1" />
+  <C value="-0.75025" />
+  <D value="-2.9452E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000003308" />
+  <B value="0.60466" />
+  <C value="252.52" />
+  <D value="-7535.6" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061213" />
+  <B value="3.6115" />
+  <C value="-1.5687" />
+  <D value="-0.00048198" />
+  <E value="-0.000001134" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="403.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028131" />
+  <B value="1.1825" />
+  <C value="-103.57" />
+  <D value="142450" />
+  <Tmin units="K"  value="403.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016164" />
+  <B value="11.187" />
+  <C value="-2.915" />
+  <D value="-0.00065885" />
+  <E value="-0.0000025171" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="581" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26639" />
+  <B value="942.63" />
+  <C value="-0.52031" />
+  <D value="0.00011267" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.68" />
+  <B value="3161.4" />
+  <C value="-58.474" />
+  <Tmin units="K"  value="351" />
+  <Tmax units="K"  value="514.49" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6176" />
+  <B value="-0.017458" />
+  <Tmin units="K"  value="159.78" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.5501" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.502101E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.185" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0676501" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.728934" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.352203" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.178125" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5207" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.548" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.352203" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14590" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.178125" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-30-1" />
+<Smiles name="SMILES"  value="CC(C)CC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="50" />
+<CompoundID name="Name"  value="3,3-diethylpentane" />
+<StructureFormula name="Structure"  value="CH3CH2C(C2H5)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="610.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2674980" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.473" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="419.34" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.12" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.12" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.7918" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.171012" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3379" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15220" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.388E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.31835E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9800000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97551" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68438E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.812" />
+  <B value="-0.0035815" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.05" />
+  <Tmax units="K"  value="240.12" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61216" />
+  <B value="0.28967" />
+  <C value="610.05" />
+  <D value="0.29325" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.8917" />
+  <B value="-9842.666" />
+  <C value="-18.51396" />
+  <D value="0.000016514" />
+  <E value="2" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0222E+07" />
+  <B value="-0.028455" />
+  <C value="0.90984" />
+  <D value="-0.78409" />
+  <E value="0.24027" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6779" />
+  <B value="1486.6" />
+  <C value="-4.3383" />
+  <D value="0.0056081" />
+  <E value="0.000012002" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="240.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="167890" />
+  <B value="37.678" />
+  <C value="8.6605" />
+  <D value="0.012988" />
+  <E value="-0.000011813" />
+  <Tmin units="K"  value="240.1" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="120540" />
+  <B value="-563.25" />
+  <C value="13.32" />
+  <D value="0.00012473" />
+  <E value="-3.6626E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26457" />
+  <B value="-346.37" />
+  <C value="-88.76" />
+  <D value="-14602" />
+  <E value="15928" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.975" />
+  <B value="1131.8" />
+  <C value="0.25767" />
+  <D value="-3.4761E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6575E-07" />
+  <B value="0.57536" />
+  <C value="184.44" />
+  <D value="2017.7" />
+  <Tmin units="K"  value="419.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.021495" />
+  <B value="-29.993" />
+  <C value="-1.4603" />
+  <D value="-0.0013716" />
+  <E value="-7.6272E-07" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000069723" />
+  <B value="1.0959" />
+  <C value="342.29" />
+  <D value="74930" />
+  <Tmin units="K"  value="419.34" />
+  <Tmax units="K"  value="999.34" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.09195" />
+  <B value="-27.641" />
+  <C value="-1.6687" />
+  <D value="-0.001559" />
+  <E value="7.4071E-07" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="610.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13160" />
+  <B value="797.17" />
+  <C value="-0.3726" />
+  <D value="0.000062998" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.726" />
+  <B value="3317.6" />
+  <C value="-58.699" />
+  <Tmin units="K"  value="373.64" />
+  <Tmax units="K"  value="532.17" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.5181" />
+  <B value="-0.010538" />
+  <Tmin units="K"  value="240.12" />
+  <Tmax units="K"  value="419.34" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.710682E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="267.0522" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0660643" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.757461" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3379" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.171012" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.552" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009265" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3379" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15220" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.171012" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1067-20-5" />
+<Smiles name="SMILES"  value="CCC(CC)(CC)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="51" />
+<CompoundID name="Name"  value="2,2,3,3-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2C(CH3)2CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="607.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="413.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="263.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="263.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="133.839" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17034" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.1E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.407E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.36856E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.74E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2300000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.93709" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68149E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7007" />
+  <B value="-0.0032505" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="105.3" />
+  <Tmax units="K"  value="263.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58952" />
+  <B value="0.28267" />
+  <C value="607.6" />
+  <D value="0.29572" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="589.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="139.0487" />
+  <B value="-9535.451" />
+  <C value="-17.78617" />
+  <D value="0.0000157521" />
+  <E value="2" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3713E+07" />
+  <B value="0.39899" />
+  <C value="-0.032998" />
+  <D value="0.06374" />
+  <E value="-0.0535" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8132.5" />
+  <B value="1274" />
+  <C value="-2.5935" />
+  <D value="0.014873" />
+  <E value="-0.000051282" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="174.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116740" />
+  <B value="-86.104" />
+  <C value="11.13" />
+  <D value="0.0046308" />
+  <E value="-0.000003068" />
+  <Tmin units="K"  value="263.4" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="55048" />
+  <B value="-357.31" />
+  <C value="13.013" />
+  <D value="0.00055209" />
+  <E value="-1.6211E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30532" />
+  <B value="-388.69" />
+  <C value="-73.537" />
+  <D value="-25110" />
+  <E value="47691" />
+  <Tmin units="K"  value="303.75" />
+  <Tmax units="K"  value="1949.43" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.7597" />
+  <B value="1441.2" />
+  <C value="-0.37772" />
+  <D value="-0.000001226" />
+  <E value="2" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.1934E-07" />
+  <B value="0.48521" />
+  <C value="356.82" />
+  <D value="-1384.3" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0045701" />
+  <B value="-120.11" />
+  <C value="-0.775" />
+  <D value="-0.0036256" />
+  <E value="9.650699E-07" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="413.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000014917" />
+  <B value="1.2661" />
+  <C value="-211.67" />
+  <D value="155870" />
+  <Tmin units="K"  value="413.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067505" />
+  <B value="-40.086" />
+  <C value="-1.7701" />
+  <D value="-0.0019128" />
+  <E value="8.1111E-07" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="607.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-50045" />
+  <B value="1093.4" />
+  <C value="-0.82446" />
+  <D value="0.00037581" />
+  <E value="-7.7657E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.567" />
+  <B value="3186.4" />
+  <C value="-60.994" />
+  <Tmin units="K"  value="368.1" />
+  <Tmax units="K"  value="535.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3449" />
+  <B value="-0.012915" />
+  <Tmin units="K"  value="263.26" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.052637E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="351.2684" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0661158" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.760702" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17034" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.628" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.002328" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17034" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7154-79-2" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="52" />
+<CompoundID name="Name"  value="2,2,3,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH(CH3)CH(CH3)CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="592.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.49" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="406.18" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="152.06" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="152.06" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000053591" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.179229" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.16E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.386E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.37358E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.26352E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="452834" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="500000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95146" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68208E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.2756" />
+  <B value="-0.0060479" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.82" />
+  <Tmax units="K"  value="152.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42889" />
+  <B value="0.24425" />
+  <C value="592.7" />
+  <D value="0.24983" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="137.07" />
+  <B value="-9700.5" />
+  <C value="-17.255" />
+  <D value="0.000012062" />
+  <E value="2" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.771831E+07" />
+  <B value="1.016576" />
+  <C value="-1.835135" />
+  <D value="2.12911" />
+  <E value="-0.921819" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="592.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="177720" />
+  <B value="-50.337" />
+  <C value="8.3416" />
+  <D value="0.015008" />
+  <E value="-0.000013849" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="406.18" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83946" />
+  <B value="-465.16" />
+  <C value="13.193" />
+  <D value="0.000328" />
+  <E value="-9.6189E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30123" />
+  <B value="-401.73" />
+  <C value="-67.509" />
+  <D value="-13419" />
+  <E value="21834" />
+  <Tmin units="K"  value="296.08" />
+  <Tmax units="K"  value="1892.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.182" />
+  <B value="1248.5" />
+  <C value="-0.55988" />
+  <D value="-2.1902E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="474.08" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9083E-07" />
+  <B value="0.57522" />
+  <C value="220.52" />
+  <D value="-776.34" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.045924" />
+  <B value="4.3553" />
+  <C value="-1.6529" />
+  <D value="-0.00040588" />
+  <E value="-0.000001389" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="406.18" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019408" />
+  <B value="1.2262" />
+  <C value="-198.62" />
+  <D value="159810" />
+  <Tmin units="K"  value="406.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012296" />
+  <B value="16.67" />
+  <C value="-3.0272" />
+  <D value="-0.00038099" />
+  <E value="-0.0000033807" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="592.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-45081" />
+  <B value="1026.9" />
+  <C value="-0.66774" />
+  <D value="0.00021534" />
+  <E value="-2.1701E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.558" />
+  <B value="3122" />
+  <C value="-60.513" />
+  <Tmin units="K"  value="360.74" />
+  <Tmax units="K"  value="523.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.3033" />
+  <B value="-0.017906" />
+  <Tmin units="K"  value="152.06" />
+  <Tmax units="K"  value="474.08" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.476529E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.835" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.066584" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.743261" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5199" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.544" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002088" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.179229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1186-53-4" />
+<Smiles name="SMILES"  value="CC(C)(C)C(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="53" />
+<CompoundID name="Name"  value="2,2,4,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2CH2C(CH3)2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571.35" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2360870" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.504" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="395.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.83952" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17923" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.313609" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.86E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.407E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.41375E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.40159E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="431496" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9700000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95089" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.67978E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7417" />
+  <B value="-0.0041681" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.78" />
+  <Tmax units="K"  value="206.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.47711" />
+  <B value="0.25904" />
+  <C value="574.61" />
+  <D value="0.26647" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="574.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.5701" />
+  <B value="-9035.55" />
+  <C value="-17.5287" />
+  <D value="0.0000167892" />
+  <E value="2" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="574.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.75823E+07" />
+  <B value="1.154086" />
+  <C value="-2.055247" />
+  <D value="2.209851" />
+  <E value="-0.923166" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="555.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-3662.8" />
+  <B value="1207.7" />
+  <C value="-1.0811" />
+  <D value="-0.016528" />
+  <E value="0.000094782" />
+  <Tmin units="K"  value="18" />
+  <Tmax units="K"  value="206.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119280" />
+  <B value="88.665" />
+  <C value="9.3063" />
+  <D value="0.010453" />
+  <E value="-0.0000091934" />
+  <Tmin units="K"  value="206.61" />
+  <Tmax units="K"  value="380" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122670" />
+  <B value="-599.26" />
+  <C value="13.402" />
+  <D value="0.000099085" />
+  <E value="-1.741E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30694" />
+  <B value="-369.96" />
+  <C value="-60.863" />
+  <D value="-20132" />
+  <E value="40675" />
+  <Tmin units="K"  value="285.68" />
+  <Tmax units="K"  value="1827.68" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.148" />
+  <B value="1468.8" />
+  <C value="-0.33327" />
+  <D value="-0.0000013179" />
+  <E value="2" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="459.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.8808E-07" />
+  <B value="0.52306" />
+  <C value="289.62" />
+  <D value="-2721.1" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038909" />
+  <B value="-2.6455" />
+  <C value="-1.623" />
+  <D value="-0.0006558" />
+  <E value="-0.0000013711" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="395.44" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000015165" />
+  <B value="1.2696" />
+  <C value="-148.49" />
+  <D value="133700" />
+  <Tmin units="K"  value="395.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0065574" />
+  <B value="70.429" />
+  <C value="-3.7855" />
+  <D value="0.0020966" />
+  <E value="-0.0000079684" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="555.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8603.1" />
+  <B value="793.17" />
+  <C value="-0.33044" />
+  <D value="0.000047239" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.498" />
+  <B value="3022.6" />
+  <C value="-58.531" />
+  <Tmin units="K"  value="343.77" />
+  <Tmax units="K"  value="497.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9999" />
+  <B value="-0.016657" />
+  <Tmin units="K"  value="206.95" />
+  <Tmax units="K"  value="459.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.375219E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.5483" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0662001" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.725823" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.313609" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17923" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.52" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.628" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001878" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.313609" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17923" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="2"  value="1" />
+  <group id="4"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1070-87-7" />
+<Smiles name="SMILES"  value="CC(C)(C)CC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="54" />
+<CompoundID name="Name"  value="2,3,3,4-tetramethylpentane" />
+<StructureFormula name="Structure"  value="(CH3)2CHC(CH3)2CH(CH3)2" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="607.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.493" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.03" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00089642" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.313" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.2E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09891" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.386E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.361E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.8E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9000000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95099" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6822E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.3777" />
+  <B value="-0.006123" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.41" />
+  <Tmax units="K"  value="171.03" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49299" />
+  <B value="0.25927" />
+  <C value="607.51" />
+  <D value="0.27003" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="607.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.047" />
+  <B value="-7201.2" />
+  <C value="-8.4677" />
+  <D value="0.0000051332" />
+  <E value="2" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="607.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5207E+07" />
+  <B value="0.63465" />
+  <C value="-0.82041" />
+  <D value="1.0175" />
+  <E value="-0.45604" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="584.53" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="607.1" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61477" />
+  <B value="20.611" />
+  <C value="11.082" />
+  <D value="0.0041652" />
+  <E value="-0.0000014763" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="414.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50811" />
+  <B value="-338.13" />
+  <C value="12.991" />
+  <D value="0.00056259" />
+  <E value="-1.7284E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30059" />
+  <B value="-410.94" />
+  <C value="-73.01" />
+  <D value="-15607" />
+  <E value="25044" />
+  <Tmin units="K"  value="303.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.4098" />
+  <B value="1217" />
+  <C value="-0.67198" />
+  <D value="-2.7904E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7299E-07" />
+  <B value="0.59636" />
+  <C value="289.93" />
+  <D value="-9056.4" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.058699" />
+  <B value="3.5637" />
+  <C value="-1.5648" />
+  <D value="-0.000479" />
+  <E value="-0.0000010469" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="414.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000035577" />
+  <B value="1.1602" />
+  <C value="-50.424" />
+  <D value="142790" />
+  <Tmin units="K"  value="414.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015328" />
+  <B value="14.362" />
+  <C value="-2.9182" />
+  <D value="-0.00052501" />
+  <E value="-0.0000026764" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="584.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-76402" />
+  <B value="1346.3" />
+  <C value="-1.4905" />
+  <D value="0.001055" />
+  <E value="-3.2169E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.197557" />
+  <B value="-1450" />
+  <C value="-8.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.915" />
+  <B value="3420.9" />
+  <C value="-50.35" />
+  <Tmin units="K"  value="365" />
+  <Tmax units="K"  value="538.58" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0446" />
+  <B value="-0.015849" />
+  <Tmin units="K"  value="171.03" />
+  <Tmax units="K"  value="486" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550036" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.38854E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.8323" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.06644" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.758871" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.313" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5199" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.544" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005733" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.313" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="3"  value="2" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-38-9" />
+<Smiles name="SMILES"  value="CC(C)C(C)(C)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="91" />
+<CompoundID name="Name"  value="2-methyloctane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)5CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2310000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="416.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="193.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0206" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18075" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.423" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.973E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.348E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.21E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="496800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.8E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15253" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6791E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.7885" />
+  <B value="-0.0045145" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.52" />
+  <Tmax units="K"  value="193.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.048725" />
+  <B value="0.083928" />
+  <C value="587" />
+  <D value="0.13299" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="582.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="117.6637" />
+  <B value="-9065.067" />
+  <C value="-14.28093" />
+  <D value="0.0000101806" />
+  <E value="2" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="586.75" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8687E+07" />
+  <B value="1.3406" />
+  <C value="-2.5809" />
+  <D value="2.7985" />
+  <E value="-1.1501" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="582.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-25158" />
+  <B value="2699" />
+  <C value="-23.134" />
+  <D value="0.12246" />
+  <E value="-0.00024281" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69326" />
+  <B value="112.91" />
+  <C value="10.449" />
+  <D value="0.0058606" />
+  <E value="-0.0000035224" />
+  <Tmin units="K"  value="193" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145390" />
+  <B value="-732.92" />
+  <C value="13.658" />
+  <D value="-0.00027343" />
+  <E value="8.6186E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32232" />
+  <B value="-409.91" />
+  <C value="-67.241" />
+  <D value="-24500" />
+  <E value="45268" />
+  <Tmin units="K"  value="291.44" />
+  <Tmax units="K"  value="1877.38" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.31" />
+  <B value="1234.5" />
+  <C value="0.50422" />
+  <D value="-0.0000012054" />
+  <E value="2" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000005318" />
+  <B value="0.52649" />
+  <C value="272.37" />
+  <D value="-710.16" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15278" />
+  <B value="14.586" />
+  <C value="-1.1974" />
+  <D value="-0.00013887" />
+  <E value="-9.4417E-07" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="466.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002892" />
+  <B value="1.1595" />
+  <C value="-163.72" />
+  <D value="160440" />
+  <Tmin units="K"  value="416.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095148" />
+  <B value="42.82" />
+  <C value="-3.2759" />
+  <D value="0.00028384" />
+  <E value="-0.0000047898" />
+  <Tmin units="K"  value="193.05" />
+  <Tmax units="K"  value="582.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="49172" />
+  <B value="391.1" />
+  <C value="0.86362" />
+  <D value="-0.0013874" />
+  <E value="5.6971E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.199" />
+  <B value="3477.2" />
+  <C value="-56.934" />
+  <Tmin units="K"  value="354.15" />
+  <Tmax units="K"  value="521.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3429" />
+  <B value="-0.012901" />
+  <Tmin units="K"  value="192.78" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.965301E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.6966" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0686142" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.717479" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.423" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18075" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.423" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15310" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18075" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3221-61-2" />
+<Smiles name="SMILES"  value="CC(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="92" />
+<CompoundID name="Name"  value="3-methyloctane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="590.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.38" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000898613" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.178944" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412346" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.791E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.7E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68128E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0428" />
+  <B value="-0.0054796" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.22" />
+  <Tmax units="K"  value="165.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.4999" />
+  <B value="0.26438" />
+  <C value="590.15" />
+  <D value="0.29155" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="169.345" />
+  <B value="-11170.36" />
+  <C value="-22.26865" />
+  <D value="0.0000190112" />
+  <E value="2" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="590.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3378E+07" />
+  <B value="0.67667" />
+  <C value="-0.53996" />
+  <D value="0.45608" />
+  <E value="-0.18958" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="590.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="39163" />
+  <B value="25.328" />
+  <C value="11.626" />
+  <D value="0.0021572" />
+  <E value="2.6369E-07" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="560" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118620" />
+  <B value="-596.81" />
+  <C value="13.418" />
+  <D value="0.0000088283" />
+  <E value="-1.2271E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30664" />
+  <B value="-390.98" />
+  <C value="-75.702" />
+  <D value="-18831" />
+  <E value="29822" />
+  <Tmin units="K"  value="295.07" />
+  <Tmax units="K"  value="1885.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.252" />
+  <B value="1147.6" />
+  <C value="-0.021999" />
+  <D value="4.3706E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="417.38" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.9482E-07" />
+  <B value="0.53152" />
+  <C value="245.99" />
+  <D value="4.1109" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1642" />
+  <B value="10.91" />
+  <C value="-1.1265" />
+  <D value="-0.00023366" />
+  <E value="-7.9637E-07" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="470" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000040968" />
+  <B value="1.1096" />
+  <C value="-178.72" />
+  <D value="180220" />
+  <Tmin units="K"  value="417.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011116" />
+  <B value="17.733" />
+  <C value="-2.999" />
+  <D value="-0.00046999" />
+  <E value="-0.0000037171" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="567.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3693.9" />
+  <B value="812.59" />
+  <C value="-0.39408" />
+  <D value="0.000066664" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.613" />
+  <B value="3114.3" />
+  <C value="-74.619" />
+  <Tmin units="K"  value="355.15" />
+  <Tmax units="K"  value="523.11" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5467" />
+  <B value="-0.015661" />
+  <Tmin units="K"  value="165.55" />
+  <Tmax units="K"  value="417.38" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.889501E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="269.7227" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0683818" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724722" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.178944" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.178944" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2216-33-3" />
+<Smiles name="SMILES"  value="CCC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="93" />
+<CompoundID name="Name"  value="4-methyloctane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CHCH3(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587.65" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.523" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="159.95" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000317697" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.179037" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.772E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.17E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501660" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.68166E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0556" />
+  <B value="-0.0055544" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.98" />
+  <Tmax units="K"  value="159.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51336" />
+  <B value="0.26824" />
+  <C value="587.65" />
+  <D value="0.29075" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="168.4912" />
+  <B value="-11138.63" />
+  <C value="-22.13486" />
+  <D value="0.0000188399" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2916E+07" />
+  <B value="0.7446" />
+  <C value="-0.80882" />
+  <D value="0.80228" />
+  <E value="-0.33895" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="587.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71582" />
+  <B value="100.57" />
+  <C value="10.612" />
+  <D value="0.0050783" />
+  <E value="-0.0000024905" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="500" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116790" />
+  <B value="-588.34" />
+  <C value="13.412" />
+  <D value="0.000015201" />
+  <E value="-1.4561E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30648" />
+  <B value="-389" />
+  <C value="-74.826" />
+  <D value="-18071" />
+  <E value="28356" />
+  <Tmin units="K"  value="293.82" />
+  <Tmax units="K"  value="1877.83" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.837" />
+  <B value="1162" />
+  <C value="0.077237" />
+  <D value="-2.6336E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="415.59" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2706E-07" />
+  <B value="0.5848" />
+  <C value="183.92" />
+  <D value="0.068678" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1663" />
+  <B value="9.2848" />
+  <C value="-1.1068" />
+  <D value="-0.00028405" />
+  <E value="-0.0000007408" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="470" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000038784" />
+  <B value="1.117" />
+  <C value="-185.06" />
+  <D value="177130" />
+  <Tmin units="K"  value="415.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0090133" />
+  <B value="27.989" />
+  <C value="-3.1772" />
+  <D value="0.00013817" />
+  <E value="-0.0000048752" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="587.65" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1160.7" />
+  <B value="826.4" />
+  <C value="-0.41015" />
+  <D value="0.000072067" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.596" />
+  <B value="3082.6" />
+  <C value="-75.645" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="520.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3456" />
+  <B value="-0.016308" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="415.59" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.935072E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.9853" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0683237" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724328" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.179037" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.179037" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2216-34-4" />
+<Smiles name="SMILES"  value="CCCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="94" />
+<CompoundID name="Name"  value="3-ethylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(C2H5)CH2(CH2)2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2430000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5213" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="416.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="158.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="158.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000277743" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.255" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.177515" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407991" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.953E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.3146E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.494E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="497400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.6838E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.1778" />
+  <B value="-0.0064596" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.3" />
+  <Tmax units="K"  value="158.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.38578" />
+  <B value="0.23273" />
+  <C value="594.3" />
+  <D value="0.25158" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="567.28" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.6653" />
+  <B value="-8269.445" />
+  <C value="-12.32292" />
+  <D value="0.000012256" />
+  <E value="2" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3311E+07" />
+  <B value="1.0505" />
+  <C value="-1.9581" />
+  <D value="2.2955" />
+  <E value="-0.98973" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="594.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="29546" />
+  <B value="-3.2521" />
+  <C value="11.386" />
+  <D value="0.0045932" />
+  <E value="-0.0000035582" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137360" />
+  <B value="-689.88" />
+  <C value="13.586" />
+  <D value="-0.00018791" />
+  <E value="5.2355E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30691" />
+  <B value="-394.25" />
+  <C value="-77.102" />
+  <D value="-21616" />
+  <E value="36748" />
+  <Tmin units="K"  value="297.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.279" />
+  <B value="1149.8" />
+  <C value="-0.019903" />
+  <D value="1.7111E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000007497" />
+  <B value="0.48637" />
+  <C value="340.94" />
+  <D value="-2876.9" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038271" />
+  <B value="3.4169" />
+  <C value="-1.6847" />
+  <D value="-0.00052626" />
+  <E value="-0.0000013295" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030963" />
+  <B value="1.1527" />
+  <C value="-150.17" />
+  <D value="156710" />
+  <Tmin units="K"  value="416.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011888" />
+  <B value="12.561" />
+  <C value="-2.9032" />
+  <D value="-0.00075797" />
+  <E value="-0.0000031904" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="590" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28905" />
+  <B value="723.1" />
+  <C value="-0.30251" />
+  <D value="0.000037455" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.883" />
+  <B value="3285.8" />
+  <C value="-64.914" />
+  <Tmin units="K"  value="362.76" />
+  <Tmax units="K"  value="521.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3411" />
+  <B value="-0.016316" />
+  <Tmin units="K"  value="158.25" />
+  <Tmax units="K"  value="416.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550226" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.668101E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.5266" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0682157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.730456" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407991" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.177515" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5222" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407991" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.177515" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-80-4" />
+<Smiles name="SMILES"  value="CCC(CC)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="96" />
+<CompoundID name="Name"  value="2,2-dimethylheptane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2(CH2)4CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.525" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="405.97" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000152983" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="128.258" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18151" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.845E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.388E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.461E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.79E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="471800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8900000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.672E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.9753" />
+  <B value="-0.0055395" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.06" />
+  <Tmax units="K"  value="160.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.19929" />
+  <B value="0.16944" />
+  <C value="577.8" />
+  <D value="0.19098" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="173.1768" />
+  <B value="-10891.65" />
+  <C value="-23.04354" />
+  <D value="0.0000217483" />
+  <E value="2" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.677584E+07" />
+  <B value="0.420266" />
+  <C value="0.0606766" />
+  <D value="-0.058971" />
+  <E value="-0.0565229" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="249210" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="577.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188490" />
+  <B value="-126.2" />
+  <C value="10.161" />
+  <D value="0.0065361" />
+  <E value="-0.0000033154" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119340" />
+  <B value="-582.53" />
+  <C value="13.386" />
+  <D value="0.000067675" />
+  <E value="-2.1229E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29926" />
+  <B value="-360.95" />
+  <C value="-70.246" />
+  <D value="-13793" />
+  <E value="20867" />
+  <Tmin units="K"  value="288.35" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.654" />
+  <B value="1250.4" />
+  <C value="0.03445" />
+  <D value="-6.0618E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0205E-07" />
+  <B value="0.4765" />
+  <C value="340.6" />
+  <D value="-3260.3" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.04961" />
+  <B value="4.5364" />
+  <C value="-1.657" />
+  <D value="-0.00038774" />
+  <E value="-0.0000014465" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023582" />
+  <B value="1.1966" />
+  <C value="-148.34" />
+  <D value="144910" />
+  <Tmin units="K"  value="405.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008025" />
+  <B value="40.938" />
+  <C value="-3.4014" />
+  <D value="0.00073554" />
+  <E value="-0.0000058206" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="576.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5399.1" />
+  <B value="817.15" />
+  <C value="-0.38647" />
+  <D value="0.000065459" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.404923" />
+  <B value="-950" />
+  <C value="-5.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.532" />
+  <B value="3019.1" />
+  <C value="-70.648" />
+  <Tmin units="K"  value="346.85" />
+  <Tmax units="K"  value="510.93" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.5711" />
+  <B value="-0.018073" />
+  <Tmin units="K"  value="160.15" />
+  <Tmax units="K"  value="405.84" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.550163" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.686199E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.4327" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="189.3" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0677873" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.715257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18151" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14720" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18151" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1071-26-7" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="48" />
+<CompoundID name="Name"  value="3,3,5-trimethylheptane" />
+<StructureFormula name="Structure"  value="CH3CH2C(CH3)2CH2CH(CH3)CH2CH3" />
+<Family name="Family"  value="4" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.564" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="428.83" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000151957" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.285" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.19248" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.886E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10915" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.522E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.588E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.23E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="513420" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.4E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2911E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="7.4787" />
+  <B value="-0.0056657" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66" />
+  <Tmax units="K"  value="165" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.32798" />
+  <B value="0.22465" />
+  <C value="609.6" />
+  <D value="0.2413" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="165.0702" />
+  <B value="-10873.83" />
+  <C value="-21.67781" />
+  <D value="0.0000174271" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.692041E+07" />
+  <B value="-0.369689" />
+  <C value="2.788348" />
+  <D value="-3.430471" />
+  <E value="1.37842" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="275220" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="609.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="181900" />
+  <B value="88.778" />
+  <C value="8.7398" />
+  <D value="0.011239" />
+  <E value="-0.0000078705" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="457.16" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93450" />
+  <B value="-461.09" />
+  <C value="13.294" />
+  <D value="0.00031582" />
+  <E value="-1.0309E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33139" />
+  <B value="-440.19" />
+  <C value="-87.279" />
+  <D value="-20730" />
+  <E value="33410" />
+  <Tmin units="K"  value="304.75" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8795" />
+  <B value="1294.8" />
+  <C value="-0.60549" />
+  <D value="-4.2086E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="487.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7085E-07" />
+  <B value="0.52829" />
+  <C value="329.98" />
+  <D value="-4470.2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0037809" />
+  <B value="-39.052" />
+  <C value="-1.5072" />
+  <D value="-0.0019367" />
+  <E value="-8.6862E-07" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="550" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000042493" />
+  <B value="1.1211" />
+  <C value="-89.298" />
+  <D value="167970" />
+  <Tmin units="K"  value="428.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0079018" />
+  <B value="47.103" />
+  <C value="-3.4097" />
+  <D value="0.00092865" />
+  <E value="-0.0000056403" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="609.5" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-24935" />
+  <B value="982.01" />
+  <C value="-0.34771" />
+  <D value="-0.00019639" />
+  <E value="1.4276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.755" />
+  <B value="3365.2" />
+  <C value="-64.25" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="539.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.4461" />
+  <B value="-0.016988" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="487.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615915" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.835398E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.2417" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0742386" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.747136" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.19248" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.1951" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.088" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.19248" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="5" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7154-80-5" />
+<Smiles name="SMILES"  value="CCC(C)(C)CC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="72" />
+<CompoundID name="Name"  value="2,2-dimethyloctane" />
+<StructureFormula name="Structure"  value="CH3C(CH3)2(CH2)5CH3" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="602.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5897" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="430.05" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.197405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.428759" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.223E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.523E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.67E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="511000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.7E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.281E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.35" />
+  <B value="2.3419E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27519" />
+  <B value="0.20873" />
+  <C value="602.4" />
+  <D value="0.22241" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.2162" />
+  <B value="-9736.787" />
+  <C value="-15.87938" />
+  <D value="0.0000121145" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2139E+07" />
+  <B value="0.81955" />
+  <C value="-1.4728" />
+  <D value="1.7846" />
+  <E value="-0.74179" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="275220" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="602.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130180" />
+  <B value="214" />
+  <C value="8.9638" />
+  <D value="0.010626" />
+  <E value="-0.0000085091" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="425" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="133300" />
+  <B value="-582.81" />
+  <C value="13.49" />
+  <D value="0.000049115" />
+  <E value="-1.5637E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33556" />
+  <B value="-413.18" />
+  <C value="-91.248" />
+  <D value="-27355" />
+  <E value="45691" />
+  <Tmin units="K"  value="301" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.132" />
+  <B value="1337.2" />
+  <C value="0.10372" />
+  <D value="-1.6576E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6483E-07" />
+  <B value="0.48953" />
+  <C value="292.37" />
+  <D value="276.07" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054905" />
+  <B value="-9.2849" />
+  <C value="-1.513" />
+  <D value="-0.00077582" />
+  <E value="-8.6839E-07" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023992" />
+  <B value="1.186" />
+  <C value="-157.89" />
+  <D value="154490" />
+  <Tmin units="K"  value="430.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081141" />
+  <B value="109.26" />
+  <C value="-3.9929" />
+  <D value="0.0023215" />
+  <E value="-0.0000066762" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7717.8" />
+  <B value="904.09" />
+  <C value="-0.43608" />
+  <D value="0.00007608" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.447" />
+  <B value="3766.1" />
+  <C value="-50.805" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="602" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9662" />
+  <B value="-0.013254" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="430.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.615981" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.338988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="259.9107" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0749304" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.728014" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.428759" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.197405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.1959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.092" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.428759" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14870" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.197405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-87-1" />
+<Smiles name="SMILES"  value="CC(C)(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="85" />
+<CompoundID name="Name"  value="3-methylnonane" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)(CH2)5CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="613.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="440.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000565366" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.464925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.286E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.544E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.88E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="543900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.88E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.1736" />
+  <B value="-0.0042229" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.34" />
+  <Tmax units="K"  value="188.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.19012" />
+  <B value="0.17319" />
+  <C value="613.7" />
+  <D value="0.19349" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.738" />
+  <B value="-8476.8" />
+  <C value="-10.023" />
+  <D value="0.0000053448" />
+  <E value="2" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.354164E+07" />
+  <B value="1.024481" />
+  <C value="-0.0908156" />
+  <D value="-1.228122" />
+  <E value="0.762381" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="622690" />
+  <B value="-20288" />
+  <C value="276.93" />
+  <D value="-1.5699" />
+  <E value="0.0032518" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78506" />
+  <B value="74.892" />
+  <C value="11.023" />
+  <D value="0.0040568" />
+  <E value="-0.0000015927" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="133050" />
+  <B value="-599.42" />
+  <C value="13.53" />
+  <D value="-0.000017353" />
+  <E value="-3.363E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33234" />
+  <B value="-422.27" />
+  <C value="-103.89" />
+  <D value="-20755" />
+  <E value="19060" />
+  <Tmin units="K"  value="306.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.922" />
+  <B value="1267.3" />
+  <C value="0.28159" />
+  <D value="-8.3807E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="440.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.1879E-07" />
+  <B value="0.49638" />
+  <C value="289.26" />
+  <D value="-877.62" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1781" />
+  <B value="10.557" />
+  <C value="-1.078" />
+  <D value="-0.00023148" />
+  <E value="-6.8221E-07" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="490" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000033407" />
+  <B value="1.1338" />
+  <C value="-162.76" />
+  <D value="171650" />
+  <Tmin units="K"  value="440.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01117" />
+  <B value="45.677" />
+  <C value="-3.2566" />
+  <D value="0.00030403" />
+  <E value="-0.0000040378" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="613" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6363.2" />
+  <B value="899.08" />
+  <C value="-0.44378" />
+  <D value="0.000077366" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.006" />
+  <B value="3498.3" />
+  <C value="-71.962" />
+  <Tmin units="K"  value="370.15" />
+  <Tmax units="K"  value="545.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7344" />
+  <B value="-0.013957" />
+  <Tmin units="K"  value="188.35" />
+  <Tmax units="K"  value="440.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.382832E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="260.9626" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0754856" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.464925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.464925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="5911-04-6" />
+<Smiles name="SMILES"  value="CCC(C)CCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="86" />
+<CompoundID name="Name"  value="2-methylnonane" />
+<StructureFormula name="Structure"  value="(CH3)2CH(CH2)6CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="621" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.601" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="440.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="198.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="198.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00248675" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.196826" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.472342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.429E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.5652E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.841E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="538020" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.75E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.2888E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.0875" />
+  <B value="-0.0039745" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.4" />
+  <Tmax units="K"  value="198.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.2243" />
+  <B value="0.18661" />
+  <C value="621" />
+  <D value="0.23259" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="588.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.13" />
+  <B value="-10462" />
+  <C value="-16.388" />
+  <D value="0.0000099287" />
+  <E value="2" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.023987E+07" />
+  <B value="-0.879246" />
+  <C value="6.371272" />
+  <D value="-9.404583" />
+  <E value="4.418702" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="581370" />
+  <B value="-18844" />
+  <C value="260.35" />
+  <D value="-1.4888" />
+  <E value="0.0031062" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="185" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-52606" />
+  <B value="80.981" />
+  <C value="11.786" />
+  <D value="0.0026831" />
+  <E value="-6.0448E-07" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="137030" />
+  <B value="-599.28" />
+  <C value="13.509" />
+  <D value="0.0000018563" />
+  <E value="-1.0781E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.1519" />
+  <B value="949.54" />
+  <C value="-1.2725" />
+  <D value="0.0000012986" />
+  <E value="2" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.2127E-07" />
+  <B value="0.44292" />
+  <C value="352.44" />
+  <D value="-1163.9" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16513" />
+  <B value="15.121" />
+  <C value="-1.1582" />
+  <D value="-0.00011252" />
+  <E value="-0.0000008534" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000030641" />
+  <B value="1.1437" />
+  <C value="-171.78" />
+  <D value="168770" />
+  <Tmin units="K"  value="440.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013266" />
+  <B value="8.6972" />
+  <C value="-2.8018" />
+  <D value="-0.0012779" />
+  <E value="-0.0000019818" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="610" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12286" />
+  <B value="883.31" />
+  <C value="-0.42859" />
+  <D value="0.000072456" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.901" />
+  <B value="3427.2" />
+  <C value="-74.62" />
+  <Tmin units="K"  value="375.15" />
+  <Tmax units="K"  value="545.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.382" />
+  <B value="-0.011976" />
+  <Tmin units="K"  value="198.5" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.557272E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="252.7017" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0765141" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.73091" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.472342" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.196826" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.472342" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15380" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.196826" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="871-83-0" />
+<Smiles name="SMILES"  value="CC(C)CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="87" />
+<CompoundID name="Name"  value="4-methylnonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(CH3)(CH2)4CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="613.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000108068" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195426" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.465073" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.265E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.547E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.89E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="541900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.52E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2988" />
+  <B value="-0.0046485" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.78" />
+  <Tmax units="K"  value="174.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.046753" />
+  <B value="0.085687" />
+  <C value="613.7" />
+  <D value="0.13909" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.6866" />
+  <B value="-10632.15" />
+  <C value="-18.17547" />
+  <D value="0.0000137486" />
+  <E value="2" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.2873E+07" />
+  <B value="0.39496" />
+  <C value="-0.054115" />
+  <D value="0.081779" />
+  <E value="-0.040701" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1327700" />
+  <B value="-47867" />
+  <C value="675.59" />
+  <D value="-4.0824" />
+  <E value="0.0090781" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="160" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41953" />
+  <B value="56.5" />
+  <C value="11.484" />
+  <D value="0.0029861" />
+  <E value="-0.0000006055" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="580" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130820" />
+  <B value="-589.61" />
+  <C value="13.519" />
+  <D value="-0.0000013811" />
+  <E value="-1.0182E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7174" />
+  <B value="1148.5" />
+  <C value="-0.42278" />
+  <D value="0.000000818" />
+  <E value="2" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="438.85" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0899E-07" />
+  <B value="0.5228" />
+  <C value="260.59" />
+  <D value="-971.93" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16198" />
+  <B value="12.531" />
+  <C value="-1.1439" />
+  <D value="-0.00019006" />
+  <E value="-7.9079E-07" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000039332" />
+  <B value="1.1131" />
+  <C value="-152.11" />
+  <D value="174490" />
+  <Tmin units="K"  value="438.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0091915" />
+  <B value="41.648" />
+  <C value="-3.2196" />
+  <D value="0.0001215" />
+  <E value="-0.0000043751" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="610" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3419.1" />
+  <B value="914.32" />
+  <C value="-0.46014" />
+  <D value="0.000082394" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.928" />
+  <B value="3434.7" />
+  <C value="-73.509" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="541.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4192" />
+  <B value="-0.015045" />
+  <Tmin units="K"  value="174.45" />
+  <Tmax units="K"  value="438.85" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.342286E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.7862" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0754875" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736664" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.465073" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195426" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.465073" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195426" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="17301-94-9" />
+<Smiles name="SMILES"  value="CCCC(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="88" />
+<CompoundID name="Name"  value="5-methylnonane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CH(CH3)(CH2)3CH3" />
+<Family name="Family"  value="2" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="609.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.5904" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="186" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000438465" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.282" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.195298" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.456177" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.318E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10917" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.503E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.5472E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.06E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="536500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.66E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.291E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.2082" />
+  <B value="-0.0043126" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.18" />
+  <Tmax units="K"  value="185.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.41463" />
+  <B value="0.2529" />
+  <C value="610.01" />
+  <D value="0.28051" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="215.6392" />
+  <B value="-13712.31" />
+  <C value="-29.15861" />
+  <D value="0.0000236309" />
+  <E value="2" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="610" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.5588E+07" />
+  <B value="0.029762" />
+  <C value="1.6061" />
+  <D value="-2.0417" />
+  <E value="0.80324" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="587.66" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="759980" />
+  <B value="-25254" />
+  <C value="344.7" />
+  <D value="-1.9725" />
+  <E value="0.0041285" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="230160" />
+  <B value="-61.977" />
+  <C value="9.1603" />
+  <D value="0.0096645" />
+  <E value="-0.0000061376" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="550" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131700" />
+  <B value="-594.98" />
+  <C value="13.529" />
+  <D value="-0.000014234" />
+  <E value="-5.0987E-09" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34066" />
+  <B value="-433.78" />
+  <C value="-97.746" />
+  <D value="-34416" />
+  <E value="59442" />
+  <Tmin units="K"  value="305" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.838" />
+  <B value="1303.8" />
+  <C value="0.41828" />
+  <D value="-8.7942E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="438.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7631E-07" />
+  <B value="0.50736" />
+  <C value="283.05" />
+  <D value="-1279.5" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.183" />
+  <B value="10.49" />
+  <C value="-1.0698" />
+  <D value="-0.00021616" />
+  <E value="-6.8913E-07" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="488" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00003614" />
+  <B value="1.1239" />
+  <C value="-159.13" />
+  <D value="172680" />
+  <Tmin units="K"  value="438.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015552" />
+  <B value="22.28" />
+  <C value="-2.8961" />
+  <D value="-0.00075059" />
+  <E value="-0.0000023626" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="587.66" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4321" />
+  <B value="909.02" />
+  <C value="-0.45451" />
+  <D value="0.000080712" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.621" />
+  <B value="3256.6" />
+  <C value="-80.185" />
+  <Tmin units="K"  value="367.15" />
+  <Tmax units="K"  value="542.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6594" />
+  <B value="-0.014236" />
+  <Tmin units="K"  value="185.45" />
+  <Tmax units="K"  value="438.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.616046" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.342286E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="263.0172" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="209.82" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0758946" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.736351" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.456177" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.195298" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.196599" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.012" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.456177" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.195298" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="6" />
+  <group id="3"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15869-85-9" />
+<Smiles name="SMILES"  value="CCCCC(C)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="217" />
+<CompoundID name="Name"  value="Cis-2-hexene" />
+<StructureFormula name="Structure"  value="CH3CHCH(CH2)2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="511.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="342.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.03" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000232" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1234" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.287374" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.76E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.015E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06474" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.856E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="8.025E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8857530" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90348" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.728E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.357" />
+  <B value="-0.010385" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="52.81" />
+  <Tmax units="K"  value="132.03" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77464" />
+  <B value="0.2672" />
+  <C value="511.4" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="511.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.3995" />
+  <B value="-6791.221" />
+  <C value="-12.84602" />
+  <D value="0.0000165576" />
+  <E value="2" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="511.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9E+07" />
+  <B value="1.281" />
+  <C value="-2.4971" />
+  <D value="2.499" />
+  <E value="-0.86824" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="491.43" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9903.7" />
+  <B value="833.78" />
+  <C value="12.723" />
+  <D value="-0.19752" />
+  <E value="0.00078189" />
+  <Tmin units="K"  value="11.37" />
+  <Tmax units="K"  value="121.04" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135610" />
+  <B value="570.7" />
+  <C value="1.6392" />
+  <D value="0.033591" />
+  <E value="-0.000032605" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88576" />
+  <B value="-789.82" />
+  <C value="13.286" />
+  <D value="-0.00034537" />
+  <E value="1.0091E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20114" />
+  <B value="-212.36" />
+  <C value="-29.612" />
+  <D value="-2416.2" />
+  <E value="3113.2" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.864" />
+  <B value="787.8" />
+  <C value="0.0025561" />
+  <D value="-7.6676E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6061E-08" />
+  <B value="0.91362" />
+  <C value="-8.4415" />
+  <D value="1515.2" />
+  <Tmin units="K"  value="132.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038625" />
+  <B value="3.4165" />
+  <C value="-1.4421" />
+  <D value="-0.00078927" />
+  <E value="-0.0000017176" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000053674" />
+  <B value="1.0887" />
+  <C value="-86.934" />
+  <D value="155330" />
+  <Tmin units="K"  value="342.03" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022589" />
+  <B value="9.4677" />
+  <C value="-2.677" />
+  <D value="-0.0011032" />
+  <E value="-0.0000022065" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="491.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4117" />
+  <B value="473.05" />
+  <C value="-0.20948" />
+  <D value="0.000030849" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.749" />
+  <B value="2696.8" />
+  <C value="-49.605" />
+  <Tmin units="K"  value="310.54" />
+  <Tmax units="K"  value="451.5" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3865" />
+  <B value="-0.016275" />
+  <Tmin units="K"  value="132" />
+  <Tmax units="K"  value="342.03" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.713722E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="247.3648" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.14884" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.046217" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.691499" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.287374" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1234" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2677" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.643" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.003966" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.43397" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.287374" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1234" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="7688-21-3" />
+<Smiles name="SMILES"  value="C/C=C\CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="218" />
+<CompoundID name="Name"  value="Trans-2-hexene" />
+<StructureFormula name="Structure"  value="CH3CHCH(CH2)2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="509.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3168000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.345" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.258" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="140.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="140.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00179" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.125" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.288635" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.616E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06474" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.381E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.675E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8255030" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9628" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72648E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.09" />
+  <B value="-0.0094736" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="56.07" />
+  <Tmax units="K"  value="140.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7854" />
+  <B value="0.271" />
+  <C value="509.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="509.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.7613" />
+  <B value="-6858.249" />
+  <C value="-12.46469" />
+  <D value="0.0000134849" />
+  <E value="2" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="509.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.402196E+07" />
+  <B value="0.563356" />
+  <C value="-0.497314" />
+  <D value="0.306975" />
+  <E value="0.0161359" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="490.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2070" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="140.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145330" />
+  <B value="591.61" />
+  <C value="0.45085" />
+  <D value="0.040176" />
+  <E value="-0.000043449" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96839" />
+  <B value="-758.81" />
+  <C value="13.112" />
+  <D value="-0.00018911" />
+  <E value="4.7057E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21635" />
+  <B value="-262.77" />
+  <C value="-18.97" />
+  <D value="-7202.8" />
+  <E value="15014" />
+  <Tmin units="K"  value="256.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.296" />
+  <B value="798.85" />
+  <C value="0.074688" />
+  <D value="-2.5765E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5985E-08" />
+  <B value="0.91455" />
+  <C value="-9.2013" />
+  <D value="1687.6" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.091076" />
+  <B value="-0.14352" />
+  <C value="-1.1963" />
+  <D value="-0.00093801" />
+  <E value="-0.0000007123" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000094853" />
+  <B value="1.0175" />
+  <C value="2.8366" />
+  <D value="154410" />
+  <Tmin units="K"  value="341.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024183" />
+  <B value="-0.32166" />
+  <C value="-2.4994" />
+  <D value="-0.0018373" />
+  <E value="-0.0000012135" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="490.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="19670" />
+  <B value="436.93" />
+  <C value="-0.1814" />
+  <D value="0.000023027" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.853" />
+  <B value="2752.4" />
+  <C value="-45.95" />
+  <Tmin units="K"  value="308.15" />
+  <Tmax units="K"  value="451.44" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6015" />
+  <B value="-0.015521" />
+  <Tmin units="K"  value="140.17" />
+  <Tmax units="K"  value="341.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347104" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.651318E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.5968" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.258" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.32659" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0459435" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.682799" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.288635" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.125" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2677" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.643" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.004891" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.67446" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.288635" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.125" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="4050-45-7" />
+<Smiles name="SMILES"  value="C/C=C/CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="250" />
+<CompoundID name="Name"  value="1-octene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)5CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2680000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.468" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00298" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.215" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15785" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.457E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08523" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.181E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.194E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.057E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="463700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.531E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0842" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.961E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1732" />
+  <B value="-0.0061137" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.58" />
+  <Tmax units="K"  value="171.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44684" />
+  <B value="0.23463" />
+  <C value="567" />
+  <D value="0.24846" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="177.7155" />
+  <B value="-11137.29" />
+  <C value="-23.58923" />
+  <D value="0.000019592" />
+  <E value="2" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7062E+07" />
+  <B value="0.3453" />
+  <C value="0.41628" />
+  <D value="-0.36125" />
+  <E value="-0.059539" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-18727" />
+  <B value="1711.3" />
+  <C value="-4.6191" />
+  <D value="-0.021907" />
+  <E value="0.00013331" />
+  <Tmin units="K"  value="12" />
+  <Tmax units="K"  value="171.48" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-24253" />
+  <B value="87.834" />
+  <C value="11.35" />
+  <D value="0.0032002" />
+  <E value="-0.0000012467" />
+  <Tmin units="K"  value="171" />
+  <Tmax units="K"  value="454" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106430" />
+  <B value="-593.77" />
+  <C value="13.154" />
+  <D value="0.00006689" />
+  <E value="-2.6274E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26737" />
+  <B value="-340.49" />
+  <C value="-61.032" />
+  <D value="-4988.1" />
+  <E value="1129.3" />
+  <Tmin units="K"  value="264" />
+  <Tmax units="K"  value="1983.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.8042" />
+  <B value="945.32" />
+  <C value="-0.93827" />
+  <D value="0.0000032767" />
+  <E value="2" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="453.52" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000047664" />
+  <B value="0.084052" />
+  <C value="3514.6" />
+  <D value="21127" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.035226" />
+  <B value="40.754" />
+  <C value="-2.2668" />
+  <D value="0.00092297" />
+  <E value="-0.0000060301" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000014109" />
+  <B value="1.354" />
+  <C value="610.51" />
+  <D value="-30915" />
+  <Tmin units="K"  value="394.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.14483" />
+  <B value="-2.7807" />
+  <C value="-1.5504" />
+  <D value="-0.00091294" />
+  <E value="4.2416E-07" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="566.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="72710" />
+  <B value="110.08" />
+  <C value="1.2552" />
+  <D value="-0.0017373" />
+  <E value="6.9559E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.5046" />
+  <B value="-1050" />
+  <C value="-6.3" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.716" />
+  <B value="3032.4" />
+  <C value="-64.529" />
+  <Tmin units="K"  value="340.25" />
+  <Tmax units="K"  value="504.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9394" />
+  <B value="-0.012055" />
+  <Tmin units="K"  value="171.45" />
+  <Tmax units="K"  value="453.52" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465907" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.097994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.8257" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.37034" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0596194" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720816" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.393" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15785" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.6185" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.724" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.002307" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.78497" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.393" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15540" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15785" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-66-0" />
+<Smiles name="SMILES"  value="C=CCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="259" />
+<CompoundID name="Name"  value="1-nonene" />
+<StructureFormula name="Structure"  value="CH2CH(CH2)6CH3" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="594" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2330000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.526" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="420.03" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="191.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="191.91" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0204" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.242" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.411" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.873E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09546" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.316E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.035E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.123E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="504100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.9359E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1406" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.0944" />
+  <B value="-0.0047703" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.76" />
+  <Tmax units="K"  value="191.91" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18062" />
+  <B value="0.15802" />
+  <C value="594" />
+  <D value="0.18969" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.37" />
+  <B value="-9418.7" />
+  <C value="-14.583" />
+  <D value="0.0000094863" />
+  <E value="2" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0729E+07" />
+  <B value="-0.72017" />
+  <C value="3.2276" />
+  <D value="-3.6347" />
+  <E value="1.4659" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16015" />
+  <B value="1468.8" />
+  <C value="2.0005" />
+  <D value="-0.064925" />
+  <E value="0.00021824" />
+  <Tmin units="K"  value="11" />
+  <Tmax units="K"  value="191.92" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58309" />
+  <B value="119.15" />
+  <C value="10.75" />
+  <D value="0.0042025" />
+  <E value="-0.0000015805" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="475" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122350" />
+  <B value="-622.4" />
+  <C value="13.352" />
+  <D value="-0.000015236" />
+  <E value="-2.3169E-10" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21322" />
+  <B value="-235.69" />
+  <C value="-117.36" />
+  <D value="37005" />
+  <E value="-118360" />
+  <Tmin units="K"  value="297" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.296" />
+  <B value="1057.3" />
+  <C value="-0.12431" />
+  <D value="2.0281E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="420.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2319E-08" />
+  <B value="0.81707" />
+  <C value="155.31" />
+  <D value="-12572" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.024602" />
+  <B value="-118.29" />
+  <C value="-0.40946" />
+  <D value="-0.0056136" />
+  <E value="0.0000021909" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000019761" />
+  <B value="1.2983" />
+  <C value="563.96" />
+  <D value="24829" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.13785" />
+  <B value="-6.5227" />
+  <C value="-1.5557" />
+  <D value="-0.00098337" />
+  <E value="4.6887E-07" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="593.1" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="82837" />
+  <B value="113.94" />
+  <C value="1.4559" />
+  <D value="-0.0020124" />
+  <E value="0.000000806" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.098" />
+  <B value="3433.4" />
+  <C value="-61.353" />
+  <Tmin units="K"  value="357.35" />
+  <Tmax units="K"  value="529.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6813" />
+  <B value="-0.01221" />
+  <Tmin units="K"  value="191.91" />
+  <Tmax units="K"  value="420.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.528415" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.027215E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.2865" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.34446" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0667997" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.734403" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.411" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.2929" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.264" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.80187" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.411" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-11-8" />
+<Smiles name="SMILES"  value="C=CCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="261" />
+<CompoundID name="Name"  value="1-undecene" />
+<StructureFormula name="Structure"  value="CH3(CH2)8CHCH2" />
+<Family name="Family"  value="9" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2044000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.657" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="465.82" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.99" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.99" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0473" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="154.292" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.2065" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.522466" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.485E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.8E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1159" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.586E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.449E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.283E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="582180" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.699E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3343" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.7878E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.5724" />
+  <B value="-0.0032733" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.6" />
+  <Tmax units="K"  value="223.99" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.38001" />
+  <B value="0.24991" />
+  <C value="637.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="637.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.64799" />
+  <B value="-9306.494" />
+  <C value="-10.26144" />
+  <D value="4.149832E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="637.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.3696E+07" />
+  <B value="-6.3933" />
+  <C value="18.084" />
+  <D value="-19.033" />
+  <E value="7.4719" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="616.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-40578" />
+  <B value="-2250300" />
+  <C value="33508" />
+  <D value="-165.17" />
+  <E value="0.26994" />
+  <Tmin units="K"  value="217.3" />
+  <Tmax units="K"  value="226.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99868" />
+  <B value="144.48" />
+  <C value="10.69" />
+  <D value="0.0042614" />
+  <E value="-0.0000010791" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="591.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="138670" />
+  <B value="-549.63" />
+  <C value="13.4" />
+  <D value="0.00014861" />
+  <E value="-5.2026E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.46674" />
+  <B value="-604.66" />
+  <C value="-91.632" />
+  <D value="-141600" />
+  <E value="329750" />
+  <Tmin units="K"  value="318.9" />
+  <Tmax units="K"  value="1773" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-49.01257" />
+  <B value="2643.166" />
+  <C value="5.957949" />
+  <D value="-8.451873E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0406E-08" />
+  <B value="0.85093" />
+  <C value="112.38" />
+  <D value="-8900.1" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067847" />
+  <B value="-250.41" />
+  <C value="0.40201" />
+  <D value="-0.0082828" />
+  <E value="0.0000014058" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="465.82" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018335" />
+  <B value="1.3031" />
+  <C value="709.58" />
+  <D value="-2804.6" />
+  <Tmin units="K"  value="465.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077397" />
+  <B value="78.944" />
+  <C value="-3.6355" />
+  <D value="0.0014924" />
+  <E value="-0.0000057786" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="616.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7374.7" />
+  <B value="1015.1" />
+  <C value="-0.57607" />
+  <D value="0.00012723" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="3677.5" />
+  <C value="-79.724" />
+  <Tmin units="K"  value="383.57" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5498" />
+  <B value="-0.01112" />
+  <Tmin units="K"  value="223.99" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.660788" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.440253E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.6865" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="225.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.793" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.080937" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.754663" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.522466" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.2065" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6417" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.344" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010786" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.6965" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.522466" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2065" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="8" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="821-95-4" />
+<Smiles name="SMILES"  value="C=CCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="221" />
+<CompoundID name="Name"  value="2-methyl-1-pentene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2CH2CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="507" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.359" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="335.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="137.43" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="137.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000805463" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.124649" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.261138" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.704E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.89E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06475" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.22581E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.2969E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7029120" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.94792" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72209E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.183" />
+  <B value="-0.009706" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="54.97" />
+  <Tmax units="K"  value="137.42" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13372" />
+  <B value="0.11276" />
+  <C value="507" />
+  <D value="0.1472" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.161" />
+  <B value="-6171.1" />
+  <C value="-9.6632" />
+  <D value="0.0000085639" />
+  <E value="2" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.397303E+07" />
+  <B value="1.23932" />
+  <C value="-1.433928" />
+  <D value="0.797889" />
+  <E value="-0.142823" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="507" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="173630" />
+  <B value="-41311" />
+  <C value="386.78" />
+  <D value="-1.1602" />
+  <E value="0.0012063" />
+  <Tmin units="K"  value="177.45" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92049" />
+  <B value="-683.66" />
+  <C value="13.009" />
+  <D value="-0.000089454" />
+  <E value="1.0969E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20427" />
+  <B value="-211.93" />
+  <C value="-28.323" />
+  <D value="-2202.1" />
+  <E value="2802.7" />
+  <Tmin units="K"  value="253.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.406" />
+  <B value="797.71" />
+  <C value="0.099228" />
+  <D value="-5.3373E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3076E-07" />
+  <B value="0.52447" />
+  <C value="272.22" />
+  <D value="-3046.8" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.026056" />
+  <B value="4.3913" />
+  <C value="-1.6749" />
+  <D value="-0.00048682" />
+  <E value="-0.0000023385" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000074858" />
+  <B value="1.0485" />
+  <C value="-32.169" />
+  <D value="140340" />
+  <Tmin units="K"  value="335.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010227" />
+  <B value="29.367" />
+  <C value="-3.1888" />
+  <D value="0.00017808" />
+  <E value="-0.0000061262" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="505" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="12977" />
+  <B value="480.34" />
+  <C value="-0.23191" />
+  <D value="0.000039315" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.723" />
+  <B value="2655.1" />
+  <C value="-46.569" />
+  <Tmin units="K"  value="305.25" />
+  <Tmax units="K"  value="446.96" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.556" />
+  <B value="-0.015605" />
+  <Tmin units="K"  value="137.42" />
+  <Tmax units="K"  value="335.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.34716" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.647237E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="262.9221" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45874" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0451328" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.686845" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.261138" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.124649" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2689" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.64" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00519" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95865" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.261138" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124649" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="5"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="763-29-1" />
+<Smiles name="SMILES"  value="C=C(C)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="227" />
+<CompoundID name="Name"  value="4-methyl-cis-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="499" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.346" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="329.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="138.72" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="138.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00215772" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126648" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.244178" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.621E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14610" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.18E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06473" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.03335E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.69856E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="373338" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7363840" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.72502E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.041" />
+  <B value="-0.0096786" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.32" />
+  <Tmax units="K"  value="138.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77793" />
+  <B value="0.27017" />
+  <C value="499" />
+  <D value="0.2861" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.573" />
+  <B value="-5993.9" />
+  <C value="-9.4501" />
+  <D value="0.0000085686" />
+  <E value="2" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="499" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4227E+07" />
+  <B value="1.5628" />
+  <C value="-2.6171" />
+  <D value="2.4298" />
+  <E value="-0.92758" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="499" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-59803" />
+  <B value="-16.203" />
+  <C value="11.773" />
+  <D value="0.0034333" />
+  <E value="-0.0000037581" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101130" />
+  <B value="-861.95" />
+  <C value="13.463" />
+  <D value="-0.00060529" />
+  <E value="2.0212E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19352" />
+  <B value="-193.4" />
+  <C value="-26.471" />
+  <D value="-1593.9" />
+  <E value="1901.2" />
+  <Tmin units="K"  value="249.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.752" />
+  <B value="820.42" />
+  <C value="0.14056" />
+  <D value="-7.3435E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3021E-07" />
+  <B value="0.52941" />
+  <C value="268.94" />
+  <D value="16.597" />
+  <Tmin units="K"  value="329.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050868" />
+  <B value="4.0553" />
+  <C value="-1.554" />
+  <D value="-0.00045968" />
+  <E value="-0.000001981" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000052516" />
+  <B value="1.0978" />
+  <C value="-60.883" />
+  <D value="128130" />
+  <Tmin units="K"  value="329.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011598" />
+  <B value="20.102" />
+  <C value="-3.0908" />
+  <D value="-0.00038666" />
+  <E value="-0.0000050432" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="480.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16890" />
+  <B value="454.86" />
+  <C value="-0.20446" />
+  <D value="0.000032855" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.651" />
+  <B value="2585.2" />
+  <C value="-46.215" />
+  <Tmin units="K"  value="299.87" />
+  <Tmax units="K"  value="442.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4146" />
+  <B value="-0.016461" />
+  <Tmin units="K"  value="138.3" />
+  <Tmax units="K"  value="329.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347048" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.33239E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.4841" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450895" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.674097" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.244178" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126648" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2669" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.639" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.001675" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.244178" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126648" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="691-38-3" />
+<Smiles name="SMILES"  value="C/C=C\C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="228" />
+<CompoundID name="Name"  value="4-methyl-trans-2-pentene" />
+<StructureFormula name="Structure"  value="CH3CHCHCH(CH3)2" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="501" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.346" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.76" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="132.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="132.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000344783" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="84.1595" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126739" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.255237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.766E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.63E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06473" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.09E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.43501E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7.43497E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368390" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7154640" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.7205E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.074" />
+  <B value="-0.0099849" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="52.94" />
+  <Tmax units="K"  value="132.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77321" />
+  <B value="0.26966" />
+  <C value="501" />
+  <D value="0.28578" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.691" />
+  <B value="-5972.8" />
+  <C value="-9.1408" />
+  <D value="0.0000081285" />
+  <E value="2" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3985E+07" />
+  <B value="1.4966" />
+  <C value="-2.4784" />
+  <D value="2.2857" />
+  <E value="-0.85991" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156060" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="501" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="22279" />
+  <B value="6.5061" />
+  <C value="10.859" />
+  <D value="0.0058182" />
+  <E value="-0.000006387" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95377" />
+  <B value="-622.83" />
+  <C value="12.814" />
+  <D value="0.000074545" />
+  <E value="-3.6318E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19736" />
+  <B value="-224.61" />
+  <C value="-21.903" />
+  <D value="488.25" />
+  <E value="-2649.6" />
+  <Tmin units="K"  value="250.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.038" />
+  <B value="805.55" />
+  <C value="0.01464" />
+  <D value="-7.2359E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.4971E-07" />
+  <B value="0.50587" />
+  <C value="292.11" />
+  <D value="780.77" />
+  <Tmin units="K"  value="331.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.02241" />
+  <B value="4.5423" />
+  <C value="-1.7038" />
+  <D value="-0.00048445" />
+  <E value="-0.0000024834" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000062348" />
+  <B value="1.0772" />
+  <C value="-17.479" />
+  <D value="116240" />
+  <Tmin units="K"  value="331.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008865" />
+  <B value="28.019" />
+  <C value="-3.2795" />
+  <D value="0.00029139" />
+  <E value="-0.0000066732" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="501" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23417" />
+  <B value="462.06" />
+  <C value="-0.22421" />
+  <D value="0.000039309" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.694" />
+  <B value="2614" />
+  <C value="-46.685" />
+  <Tmin units="K"  value="300.98" />
+  <Tmax units="K"  value="442.79" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1984" />
+  <B value="-0.017331" />
+  <Tmin units="K"  value="132.35" />
+  <Tmax units="K"  value="331.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.347048" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.389352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.9625" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="123.12" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450719" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.673532" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.255237" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126739" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2669" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.639" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000704" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.255237" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126739" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="674-76-0" />
+<Smiles name="SMILES"  value="C/C=C/C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="270" />
+<CompoundID name="Name"  value="Cyclohexene" />
+<StructureFormula name="Structure"  value="-CH2CHCHCH2CH2CH2-" />
+<Family name="Family"  value="13" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="560.42" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.291" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="356.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.67" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.67" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.103772" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="82.1436" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101877" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.212302" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.157E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.83E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05672" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.99E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4520000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.077E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="310750" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3290000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.815753" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.532E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.172" />
+  <B value="-0.0093983" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.87" />
+  <Tmax units="K"  value="169.67" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.807" />
+  <B value="0.25253" />
+  <C value="560.42" />
+  <D value="0.26738" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="82.052" />
+  <B value="-6388.7" />
+  <C value="-9.1035" />
+  <D value="0.0000071317" />
+  <E value="2" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.794402E+07" />
+  <B value="1.587579" />
+  <C value="-2.225474" />
+  <D value="1.109627" />
+  <E value="0.041589" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-106910" />
+  <B value="3261.1" />
+  <C value="-17.561" />
+  <D value="0.022428" />
+  <E value="0.000070624" />
+  <Tmin units="K"  value="110" />
+  <Tmax units="K"  value="169.66" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97738" />
+  <B value="2.3363" />
+  <C value="7.7626" />
+  <D value="0.013772" />
+  <E value="-0.000011653" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="356.12" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48919" />
+  <B value="-644.33" />
+  <C value="13.16" />
+  <D value="-0.0002758" />
+  <E value="9.0717E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17779" />
+  <B value="-223.3" />
+  <C value="-26.025" />
+  <D value="400.34" />
+  <E value="-7027.1" />
+  <Tmin units="K"  value="280.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.901" />
+  <B value="1159.3" />
+  <C value="0.11228" />
+  <D value="-1.9651E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000013322" />
+  <B value="0.45371" />
+  <C value="444.45" />
+  <D value="117.38" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11174" />
+  <B value="816.81" />
+  <C value="-14.373" />
+  <D value="0.055987" />
+  <E value="-0.00010104" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="383.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000094336" />
+  <B value="1.0783" />
+  <C value="568.3" />
+  <D value="34471" />
+  <Tmin units="K"  value="356.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011245" />
+  <B value="31.113" />
+  <C value="-2.988" />
+  <D value="0.00029997" />
+  <E value="-0.0000055654" />
+  <Tmin units="K"  value="169.67" />
+  <Tmax units="K"  value="560.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-29684" />
+  <B value="538" />
+  <C value="-0.28796" />
+  <D value="0.000056637" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="2943.1" />
+  <C value="-42.47" />
+  <Tmin units="K"  value="336.35" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1149" />
+  <B value="-0.014108" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.302527" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.898296E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="337.1902" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.5" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0407571" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.816732" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.212302" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101877" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8143" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.027" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.212302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101877" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="6"  value="1" />
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-83-8" />
+<Smiles name="SMILES"  value="C1=CCCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="108" />
+<CompoundID name="Name"  value="1,1-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2C(CH3)2CH2CH2CH2-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="547" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="203.36" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="203.68" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.04909" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.130925" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.272354" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.43E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.07E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3828E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.9037E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="359280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1080000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.99405" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2752E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.747" />
+  <B value="-0.0058701" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="81.34" />
+  <Tmax units="K"  value="203.36" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77031" />
+  <B value="0.27731" />
+  <C value="547" />
+  <D value="0.30161" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.69439" />
+  <B value="-6444.768" />
+  <C value="-8.840923" />
+  <D value="5.777915E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.4753E+07" />
+  <B value="1.835" />
+  <C value="-2.4221" />
+  <D value="1.0097" />
+  <E value="0.083052" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="547" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63403" />
+  <B value="-76.912" />
+  <C value="11.112" />
+  <D value="0.0033685" />
+  <E value="-0.0000013786" />
+  <Tmin units="K"  value="213.87" />
+  <Tmax units="K"  value="361" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84040" />
+  <B value="-831.97" />
+  <C value="13.78" />
+  <D value="-0.00060484" />
+  <E value="0.0000001825" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22139" />
+  <B value="-197.51" />
+  <C value="-37.472" />
+  <D value="-7234" />
+  <E value="10587" />
+  <Tmin units="K"  value="273.5" />
+  <Tmax units="K"  value="1914.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.8132" />
+  <B value="901.76" />
+  <C value="-0.51373" />
+  <D value="0.0000011607" />
+  <E value="2" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000055348" />
+  <B value="0.28035" />
+  <C value="888.45" />
+  <D value="60.9" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012548" />
+  <B value="-26.729" />
+  <C value="-1.3811" />
+  <D value="-0.0017046" />
+  <E value="-8.8213E-07" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0025566" />
+  <B value="0.60638" />
+  <C value="165.73" />
+  <D value="477660" />
+  <Tmin units="K"  value="361" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074471" />
+  <B value="112.42" />
+  <C value="-4.128" />
+  <D value="0.0036419" />
+  <E value="-0.0000099747" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="547" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40808" />
+  <B value="693.04" />
+  <C value="-0.36013" />
+  <D value="0.000068107" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.924" />
+  <B value="3024.7" />
+  <C value="-39.21" />
+  <Tmin units="K"  value="329.96" />
+  <Tmax units="K"  value="474.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5541" />
+  <B value="-0.013334" />
+  <Tmin units="K"  value="203.36" />
+  <Tmax units="K"  value="361" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.304016E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.4925" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.87279" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500314" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.759292" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.272354" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130925" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7193" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.856" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.013551" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.5932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.272354" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130925" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1638-26-2" />
+<Smiles name="SMILES"  value="C1(C)(C)CCCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="109" />
+<CompoundID name="Name"  value="Cis-1,2-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)3-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445050" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.68" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="24.1041" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.127822" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2692" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.617E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.29453E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.58148E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366142" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1657280" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.28203E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.765" />
+  <B value="-0.0054494" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87.7" />
+  <Tmax units="K"  value="219.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72465" />
+  <B value="0.26829" />
+  <C value="565.15" />
+  <D value="0.28378" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="88.755" />
+  <B value="-6920" />
+  <C value="-10.09" />
+  <D value="0.0000077797" />
+  <E value="2" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8904E+07" />
+  <B value="1.2615" />
+  <C value="-1.6517" />
+  <D value="1.1747" />
+  <E value="-0.3566" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16020" />
+  <B value="3224.8" />
+  <C value="-26.696" />
+  <D value="0.09892" />
+  <E value="-0.00012985" />
+  <Tmin units="K"  value="146.85" />
+  <Tmax units="K"  value="213.09" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91966" />
+  <B value="30.661" />
+  <C value="9.7483" />
+  <D value="0.0064492" />
+  <E value="-0.0000032985" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="372.68" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85421" />
+  <B value="-827.36" />
+  <C value="13.75" />
+  <D value="-0.00058187" />
+  <E value="1.7604E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19751" />
+  <B value="-161.53" />
+  <C value="-51.518" />
+  <D value="-2496.4" />
+  <E value="-2528.2" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-30.744" />
+  <B value="1578.9" />
+  <C value="3.2397" />
+  <D value="-0.0000069313" />
+  <E value="2" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="380.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.0794E-07" />
+  <B value="0.561" />
+  <C value="243.58" />
+  <D value="7280.5" />
+  <Tmin units="K"  value="372.68" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.014002" />
+  <B value="-51.607" />
+  <C value="-1.1286" />
+  <D value="-0.0024368" />
+  <E value="4.2617E-08" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="372.68" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.011269" />
+  <B value="0.40836" />
+  <C value="151.71" />
+  <D value="760020" />
+  <Tmin units="K"  value="372.68" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12665" />
+  <B value="-13.427" />
+  <C value="-1.5337" />
+  <D value="-0.0012368" />
+  <E value="5.8475E-07" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="565.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-35696" />
+  <B value="676.86" />
+  <C value="-0.34653" />
+  <D value="0.000064464" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.883" />
+  <B value="3064.4" />
+  <C value="-45.216" />
+  <Tmin units="K"  value="344.26" />
+  <Tmax units="K"  value="492.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0294" />
+  <B value="-0.011695" />
+  <Tmin units="K"  value="219.26" />
+  <Tmax units="K"  value="380.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.418237E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="335.557" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0499538" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.777085" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2692" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.127822" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006564" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2692" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.127822" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1192-18-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])([C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="110" />
+<CompoundID name="Name"  value="Trans-1,2-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)3-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3445050" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.36" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.27" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365.02" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="155.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="155.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00329595" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.1861" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.131474" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2692" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.607E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.36566E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.84928E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366811" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7167190" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.27609E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.201" />
+  <B value="-0.0080527" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="62.23" />
+  <Tmax units="K"  value="155.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77149" />
+  <B value="0.27784" />
+  <C value="553.15" />
+  <D value="0.30964" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="89.97" />
+  <B value="-6815.6" />
+  <C value="-10.323" />
+  <D value="0.000008493" />
+  <E value="2" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="553.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4143E+07" />
+  <B value="0.72069" />
+  <C value="0.072069" />
+  <D value="-0.93971" />
+  <E value="0.57146" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="553.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-27570" />
+  <B value="-6.4733" />
+  <C value="11.325" />
+  <D value="0.0043522" />
+  <E value="-0.0000035776" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86316" />
+  <B value="-831.39" />
+  <C value="13.757" />
+  <D value="-0.0005975" />
+  <E value="1.8263E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19751" />
+  <B value="-158.14" />
+  <C value="-48.305" />
+  <D value="-2091.1" />
+  <E value="-2117" />
+  <Tmin units="K"  value="276.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.501" />
+  <B value="979.94" />
+  <C value="-0.073247" />
+  <D value="2.6464E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000015301" />
+  <B value="0.42849" />
+  <C value="479.07" />
+  <D value="3.9541" />
+  <Tmin units="K"  value="365.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.028286" />
+  <B value="5.044" />
+  <C value="-1.6594" />
+  <D value="-0.00043322" />
+  <E value="-0.000001941" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0087025" />
+  <B value="0.4463" />
+  <C value="190.1" />
+  <D value="689820" />
+  <Tmin units="K"  value="365.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013661" />
+  <B value="20.324" />
+  <C value="-2.8967" />
+  <D value="-0.0007348" />
+  <E value="-0.0000035142" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="532.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-34423" />
+  <B value="673.5" />
+  <C value="-0.34508" />
+  <D value="0.000064499" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.95" />
+  <B value="3051.5" />
+  <C value="-41.265" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="490.38" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5731" />
+  <B value="-0.016451" />
+  <Tmin units="K"  value="155.58" />
+  <Tmax units="K"  value="365.02" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.388162E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.0901" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.27" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500017" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.75615" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2692" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.131474" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.009015" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2692" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.131474" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="822-50-4" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])([C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="111" />
+<CompoundID name="Name"  value="Cis-1,3-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2CH(CH3)CH2CH(CH3)CH2-" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="551" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3633" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.277" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="364.71" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000172698" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13191" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.633E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.3585E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.9204E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7397000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2771E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.282" />
+  <B value="-0.0089936" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.78" />
+  <Tmax units="K"  value="139.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77224" />
+  <B value="0.27858" />
+  <C value="551" />
+  <D value="0.31293" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.262" />
+  <B value="-5561.3" />
+  <C value="-5.5932" />
+  <D value="0.0000039124" />
+  <E value="2" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.964754E+07" />
+  <B value="1.992198" />
+  <C value="-3.906039" />
+  <D value="3.442342" />
+  <E value="-1.064932" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182070" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="551" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65786" />
+  <B value="-81.345" />
+  <C value="11.138" />
+  <D value="0.0032931" />
+  <E value="-0.0000013405" />
+  <Tmin units="K"  value="210.93" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86318" />
+  <B value="-831.43" />
+  <C value="13.758" />
+  <D value="-0.00059782" />
+  <E value="1.8276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21788" />
+  <B value="-188.03" />
+  <C value="-39.482" />
+  <D value="-9836.4" />
+  <E value="17510" />
+  <Tmin units="K"  value="275.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.311" />
+  <B value="1000.6" />
+  <C value="0.063555" />
+  <D value="-2.0388E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8359E-07" />
+  <B value="0.57388" />
+  <C value="271.6" />
+  <D value="-5017.7" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.041732" />
+  <B value="3.5995" />
+  <C value="-1.581" />
+  <D value="-0.00048911" />
+  <E value="-0.0000016476" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0021721" />
+  <B value="0.62882" />
+  <C value="203.61" />
+  <D value="446440" />
+  <Tmin units="K"  value="363.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095794" />
+  <B value="29.018" />
+  <C value="-3.1051" />
+  <D value="-0.000049483" />
+  <E value="-0.00000529" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="551" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20969" />
+  <B value="503.34" />
+  <C value="0.22474" />
+  <D value="-0.00062957" />
+  <E value="2.7945E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.065" />
+  <B value="3078.8" />
+  <C value="-41.512" />
+  <Tmin units="K"  value="332.1" />
+  <Tmax units="K"  value="486.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0328" />
+  <B value="-0.018355" />
+  <Tmin units="K"  value="139.45" />
+  <Tmax units="K"  value="363.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.213806E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="353.9908" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.277" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0501818" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.750406" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.276" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13191" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.001337" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.276" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13191" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2532-58-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(C[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="112" />
+<CompoundID name="Name"  value="Trans-1,3-dimethylcyclopentane" />
+<StructureFormula name="Structure"  value="-CH2CH(CH3)CH2CH(CH3)CH2-" />
+<Family name="Family"  value="3" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="553" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3633" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.276" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="139.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="139.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000437759" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13264" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.253" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.644E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07045" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.86E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.336E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.1463E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7398000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85958" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.279E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.285" />
+  <B value="-0.0090207" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="55.67" />
+  <Tmax units="K"  value="139.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77915" />
+  <B value="0.2805" />
+  <C value="553" />
+  <D value="0.30466" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.714" />
+  <B value="-6038.9" />
+  <C value="-7.709" />
+  <D value="0.0000063511" />
+  <E value="2" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.568557E+07" />
+  <B value="1.547069" />
+  <C value="-1.429715" />
+  <D value="-0.00159084" />
+  <E value="0.362451" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20650" />
+  <B value="1946.2" />
+  <C value="-17.152" />
+  <D value="0.083188" />
+  <E value="-0.00011775" />
+  <Tmin units="K"  value="16.73" />
+  <Tmax units="K"  value="133.18" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128140" />
+  <B value="215.87" />
+  <C value="5.2004" />
+  <D value="0.02446" />
+  <E value="-0.000024789" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86318" />
+  <B value="-831.43" />
+  <C value="13.758" />
+  <D value="-0.00059782" />
+  <E value="1.8276E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20356" />
+  <B value="-167.13" />
+  <C value="-48.07" />
+  <D value="-1089" />
+  <E value="-4751.1" />
+  <Tmin units="K"  value="276.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.152" />
+  <B value="996.91" />
+  <C value="0.036374" />
+  <D value="-1.1545E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000007023" />
+  <B value="0.52532" />
+  <C value="331.02" />
+  <D value="-5427.4" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.034026" />
+  <B value="3.551" />
+  <C value="-1.6156" />
+  <D value="-0.00049883" />
+  <E value="-0.0000017475" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0021472" />
+  <B value="0.63073" />
+  <C value="213.01" />
+  <D value="445470" />
+  <Tmin units="K"  value="364.88" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010805" />
+  <B value="26.324" />
+  <C value="-3.0571" />
+  <D value="-0.00014538" />
+  <E value="-0.0000048021" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="553" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20969" />
+  <B value="503.34" />
+  <C value="0.22474" />
+  <D value="-0.00062957" />
+  <E value="2.7945E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.192" />
+  <B value="3238.2" />
+  <C value="-29.75" />
+  <Tmin units="K"  value="335.2" />
+  <Tmax units="K"  value="487.66" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0272" />
+  <B value="-0.018371" />
+  <Tmin units="K"  value="139.18" />
+  <Tmax units="K"  value="364.88" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379444" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.240833E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="350.68" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.276" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.64" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0502618" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.753434" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.253" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13264" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7192" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.772" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.017759" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.253" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13264" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="3" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="3" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1759-58-6" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(C[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="115" />
+<CompoundID name="Name"  value="Isopropylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH(CH3)2" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="601" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.422" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.79" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000981869" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14527" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.302996" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07948" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.5071E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.305E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="407080" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.041E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77168" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8944E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.934" />
+  <B value="-0.007675" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.72" />
+  <Tmax units="K"  value="161.79" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.01997" />
+  <B value="0.048466" />
+  <C value="601" />
+  <D value="0.10484" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.74905" />
+  <B value="-6671.509" />
+  <C value="-7.204875" />
+  <D value="3.983606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.807013E+07" />
+  <B value="1.420456" />
+  <C value="-3.256998" />
+  <D value="3.923183" />
+  <E value="-1.686337" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="601" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77318" />
+  <B value="-174.75" />
+  <C value="11.36" />
+  <D value="0.00375" />
+  <E value="-0.0000015189" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="444.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31291" />
+  <B value="-392.29" />
+  <C value="12.88" />
+  <D value="0.0005799" />
+  <E value="-2.3026E-07" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27337" />
+  <B value="-340.23" />
+  <C value="-54.214" />
+  <D value="-3747.5" />
+  <E value="-9730.3" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.637" />
+  <B value="1116.2" />
+  <C value="0.10394" />
+  <D value="-3.9216E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.3283E-08" />
+  <B value="0.84204" />
+  <C value="92.528" />
+  <D value="-7299.5" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057129" />
+  <B value="3.4704" />
+  <C value="-1.5201" />
+  <D value="-0.00050193" />
+  <E value="-0.0000011418" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.10336" />
+  <B value="0.072913" />
+  <C value="-474.32" />
+  <D value="1330800" />
+  <Tmin units="K"  value="399.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018773" />
+  <B value="0.51195" />
+  <C value="-2.5976" />
+  <D value="-0.001413" />
+  <E value="-0.0000015235" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="593" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-58984" />
+  <B value="846.07" />
+  <C value="-0.47718" />
+  <D value="0.000096903" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.93" />
+  <B value="3299.8" />
+  <C value="-48.694" />
+  <Tmin units="K"  value="362.52" />
+  <Tmax units="K"  value="530" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3089" />
+  <B value="-0.016084" />
+  <Tmin units="K"  value="161.79" />
+  <Tmax units="K"  value="399.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.431762" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.080372E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="303.1565" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.58138" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.056894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.781251" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.302996" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14527" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.008055" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.73788" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.302996" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14527" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3875-51-2" />
+<Smiles name="SMILES"  value="C1CCCC1(C(C)C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="116" />
+<CompoundID name="Name"  value="1-methyl-1-ethylcyclopentane" />
+<StructureFormula name="Structure"  value="-C(CH3)(C2H5)CH2CH2CH2CH2-" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.428" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.672" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="129.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="129.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.16711E-07" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144502" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.329811" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.773E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08182" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.099E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.549E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.067E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.88921E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.333" />
+  <B value="-0.0099857" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.74" />
+  <Tmax units="K"  value="129.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62398" />
+  <B value="0.26553" />
+  <C value="582" />
+  <D value="0.28568" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.30095" />
+  <B value="-6628.265" />
+  <C value="-7.112201" />
+  <D value="3.497931E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="585" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.14848E+07" />
+  <B value="0.288357" />
+  <C value="0.487845" />
+  <D value="-0.669561" />
+  <E value="0.236062" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="582" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96111" />
+  <B value="-59.039" />
+  <C value="10.164" />
+  <D value="0.0078449" />
+  <E value="-0.0000067267" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80936" />
+  <B value="-652.6" />
+  <C value="13.464" />
+  <D value="-0.00013102" />
+  <E value="2.6661E-08" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.040536" />
+  <B value="52.83" />
+  <C value="-127.64" />
+  <D value="96352" />
+  <E value="-263290" />
+  <Tmin units="K"  value="291" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.773" />
+  <B value="1099.9" />
+  <C value="-0.048343" />
+  <D value="1.7107E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.5602E-07" />
+  <B value="0.57042" />
+  <C value="274.82" />
+  <D value="-5055.3" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0033033" />
+  <B value="9.4359" />
+  <C value="-1.8646" />
+  <D value="-0.00027" />
+  <E value="-0.0000024258" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0026462" />
+  <B value="0.59802" />
+  <C value="270.85" />
+  <D value="473470" />
+  <Tmin units="K"  value="394.67" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012274" />
+  <B value="18.884" />
+  <C value="-2.9134" />
+  <D value="-0.00040243" />
+  <E value="-0.000003859" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="582" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-60886" />
+  <B value="871.1" />
+  <C value="-0.51466" />
+  <D value="0.00011578" />
+  <Tmin units="K"  value="152" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.867" />
+  <B value="3227" />
+  <C value="-49.268" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.1515" />
+  <B value="-0.01979" />
+  <Tmin units="K"  value="129.35" />
+  <Tmax units="K"  value="394.67" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445576" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.858767E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.5493" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567373" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.785294" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.329811" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144502" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3937" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.329811" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144502" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="5" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="16747-50-5" />
+<Smiles name="SMILES"  value="C1CCCC1(C)(CC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="122" />
+<CompoundID name="Name"  value="N-butylcyclopentane" />
+<StructureFormula name="Structure"  value="(C5H9)CH2CH2CH2CH3" />
+<Family name="Family"  value="6" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="621" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2710000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="429.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165.165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000370087" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="126.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.161572" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.37188" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.634E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.157E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.683E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.217E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="453800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.131E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5037E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8832" />
+  <B value="-0.0067223" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.07" />
+  <Tmax units="K"  value="165.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55321" />
+  <B value="0.26684" />
+  <C value="621" />
+  <D value="0.28873" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.57026" />
+  <B value="-7247.203" />
+  <C value="-5.051393" />
+  <D value="-2.973642E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="621" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.633912E+07" />
+  <B value="-0.222347" />
+  <C value="2.054738" />
+  <D value="-2.396364" />
+  <E value="0.924309" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15856" />
+  <B value="1577.6" />
+  <C value="-1.3452" />
+  <D value="-0.054207" />
+  <E value="0.00024372" />
+  <Tmin units="K"  value="14.41" />
+  <Tmax units="K"  value="154.28" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165400" />
+  <B value="317.8" />
+  <C value="5.7051" />
+  <D value="0.0202" />
+  <E value="-0.000017103" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="82154" />
+  <B value="-554.7" />
+  <C value="13.299" />
+  <D value="0.00015408" />
+  <E value="-5.7536E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32315" />
+  <B value="-400.67" />
+  <C value="-80.571" />
+  <D value="-12802" />
+  <E value="-5984.5" />
+  <Tmin units="K"  value="310.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.446" />
+  <B value="1200.4" />
+  <C value="-0.12541" />
+  <D value="4.6316E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000029081" />
+  <B value="0.33269" />
+  <C value="700.46" />
+  <D value="-5220.4" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059329" />
+  <B value="3.6894" />
+  <C value="-1.5397" />
+  <D value="-0.00046539" />
+  <E value="-0.0000010217" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.001615" />
+  <B value="0.65033" />
+  <C value="212.05" />
+  <D value="447790" />
+  <Tmin units="K"  value="429.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011464" />
+  <B value="28.973" />
+  <C value="-3.0712" />
+  <D value="0.000095681" />
+  <E value="-0.000003989" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="597.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-39198" />
+  <B value="866.48" />
+  <C value="-0.45949" />
+  <D value="0.000092411" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.885" />
+  <B value="3420.5" />
+  <C value="-64.212" />
+  <Tmin units="K"  value="375.65" />
+  <Tmax units="K"  value="549.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.1614" />
+  <B value="-0.015728" />
+  <Tmin units="K"  value="165.18" />
+  <Tmax units="K"  value="429.75" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.500385" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.576352E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="292.0157" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="184.68" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0642821" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.789312" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.37188" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.161572" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.068799" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.856" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.37188" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16390" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.161572" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
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+  <group id="2"  value="3" />
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="7" />
+  <group id="3"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="78"  value="4" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2040-95-1" />
+<Smiles name="SMILES"  value="C1CCCC1(CCCC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="141" />
+<CompoundID name="Name"  value="1,1-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-C(CH3)2(CH2)5-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="239.66" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="239.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="60.5841" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144469" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2376" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.668E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.042E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.81E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.52293E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="365012" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2020870" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80822" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8639E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3147" />
+  <B value="-0.0043166" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="95.86" />
+  <Tmax units="K"  value="239.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55073" />
+  <B value="0.24971" />
+  <C value="591.15" />
+  <D value="0.27534" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.518" />
+  <B value="-6942.5" />
+  <C value="-8.9" />
+  <D value="0.0000054941" />
+  <E value="2" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.5815E+07" />
+  <B value="2.7664" />
+  <C value="-6.0218" />
+  <D value="6.1598" />
+  <E value="-2.4093" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16424" />
+  <B value="1881.1" />
+  <C value="-20.206" />
+  <D value="0.13922" />
+  <E value="-0.00034887" />
+  <Tmin units="K"  value="12.31" />
+  <Tmax units="K"  value="141.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108760" />
+  <B value="-1.4419" />
+  <C value="9.7271" />
+  <D value="0.0071596" />
+  <E value="-0.0000038148" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97627" />
+  <B value="-847.07" />
+  <C value="13.952" />
+  <D value="-0.00053736" />
+  <E value="1.4024E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2363" />
+  <B value="-268.25" />
+  <C value="-48.059" />
+  <D value="-9529.6" />
+  <E value="18562" />
+  <Tmin units="K"  value="295.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.7034" />
+  <B value="1042.4" />
+  <C value="-0.53177" />
+  <D value="8.3765E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8141E-07" />
+  <B value="0.4995" />
+  <C value="371.04" />
+  <D value="124.2" />
+  <Tmin units="K"  value="392.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0057011" />
+  <B value="-80.549" />
+  <C value="-0.98212" />
+  <D value="-0.0030094" />
+  <E value="4.8733E-07" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.01079" />
+  <B value="0.39433" />
+  <C value="-74.36" />
+  <D value="805370" />
+  <Tmin units="K"  value="392.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.080643" />
+  <B value="-31.636" />
+  <C value="-1.6941" />
+  <D value="-0.0017816" />
+  <E value="8.0067E-07" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="591.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-48680" />
+  <B value="799.8" />
+  <C value="-0.38203" />
+  <D value="0.000059621" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.484" />
+  <B value="3005.4" />
+  <C value="-57.186" />
+  <Tmin units="K"  value="355.67" />
+  <Tmax units="K"  value="517.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4746" />
+  <B value="-0.012099" />
+  <Tmin units="K"  value="239.66" />
+  <Tmax units="K"  value="392.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.912149E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.7583" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.18749" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567527" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.785287" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144469" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3937" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.396" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.007389" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.07093" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15670" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144469" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="5" />
+  <group id="80"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="590-66-9" />
+<Smiles name="SMILES"  value="C1CCCCC1(C)(C)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="142" />
+<CompoundID name="Name"  value="Cis-1,2-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)4-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="606.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="402.94" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="223.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="223.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.41394" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2363" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.759E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.72172E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="4.12124E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="374510" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1645150" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76657" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.87084E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6128" />
+  <B value="-0.0047681" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.26" />
+  <Tmax units="K"  value="223.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52003" />
+  <B value="0.24148" />
+  <C value="606.15" />
+  <D value="0.2655" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.675" />
+  <B value="-7110.6" />
+  <C value="-8.5422" />
+  <D value="0.0000045741" />
+  <E value="2" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6247E+07" />
+  <B value="1.824" />
+  <C value="-3.744" />
+  <D value="3.9502" />
+  <E value="-1.5633" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13300" />
+  <B value="1529.1" />
+  <C value="-10.715" />
+  <D value="0.053025" />
+  <E value="-0.000098378" />
+  <Tmin units="K"  value="11.92" />
+  <Tmax units="K"  value="167.87" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="111710" />
+  <B value="52.625" />
+  <C value="9.3729" />
+  <D value="0.0077553" />
+  <E value="-0.0000040932" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="402.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99210" />
+  <B value="-835.35" />
+  <C value="13.925" />
+  <D value="-0.00054754" />
+  <E value="1.5043E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23913" />
+  <B value="-321.51" />
+  <C value="-44.828" />
+  <D value="7459.3" />
+  <E value="-24725" />
+  <Tmin units="K"  value="303.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.312" />
+  <B value="1465.3" />
+  <C value="0.097955" />
+  <D value="-4.4792E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="484.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.4568E-07" />
+  <B value="0.48702" />
+  <C value="397.94" />
+  <D value="11.816" />
+  <Tmin units="K"  value="402.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.013234" />
+  <B value="-31.366" />
+  <C value="-1.3892" />
+  <D value="-0.0016087" />
+  <E value="-0.0000006162" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="402.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015824" />
+  <B value="0.34516" />
+  <C value="-25.388" />
+  <D value="892770" />
+  <Tmin units="K"  value="402.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.11015" />
+  <B value="-24.856" />
+  <C value="-1.5182" />
+  <D value="-0.0015899" />
+  <E value="8.5396E-07" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="606.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-45273" />
+  <B value="798.91" />
+  <C value="-0.39513" />
+  <D value="0.000066999" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.431" />
+  <B value="3014.3" />
+  <C value="-64.403" />
+  <Tmin units="K"  value="364.26" />
+  <Tmax units="K"  value="525.52" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9831" />
+  <B value="-0.012867" />
+  <Tmin units="K"  value="223.16" />
+  <Tmax units="K"  value="484.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.994164E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.7631" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.52986" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559709" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.800519" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2363" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.014432" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.61866" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2363" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16250" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-01-4" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])([C@]([H])(C)(CCC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="143" />
+<CompoundID name="Name"  value="Trans-1,2-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH(CH3)(CH2)4-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="596.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="396.58" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="184.99" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="184.99" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0803872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145347" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2416" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.883E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.79996E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.44761E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370912" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.04223E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81029" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86436E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6758" />
+  <B value="-0.0058139" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74" />
+  <Tmax units="K"  value="184.99" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54418" />
+  <B value="0.25029" />
+  <C value="596.15" />
+  <D value="0.26582" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="78.951" />
+  <B value="-6905.8" />
+  <C value="-8.4915" />
+  <D value="0.0000050406" />
+  <E value="2" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="596.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3964E+07" />
+  <B value="1.6946" />
+  <C value="-3.2086" />
+  <D value="3.1663" />
+  <E value="-1.1947" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13403" />
+  <B value="1490.6" />
+  <C value="-9.8224" />
+  <D value="0.046599" />
+  <E value="-0.000082592" />
+  <Tmin units="K"  value="11.99" />
+  <Tmax units="K"  value="172.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="107760" />
+  <B value="95.278" />
+  <C value="8.9456" />
+  <D value="0.0091345" />
+  <E value="-0.000005166" />
+  <Tmin units="K"  value="183.68" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97739" />
+  <B value="-799.79" />
+  <C value="13.856" />
+  <D value="-0.00049041" />
+  <E value="1.3436E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23992" />
+  <B value="-317.9" />
+  <C value="-41.61" />
+  <D value="-1205.2" />
+  <E value="1133.9" />
+  <Tmin units="K"  value="298.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.8695" />
+  <B value="1124.4" />
+  <C value="-0.19468" />
+  <D value="4.6083E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000004616" />
+  <B value="0.56409" />
+  <C value="251.76" />
+  <D value="9969.9" />
+  <Tmin units="K"  value="396.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096966" />
+  <B value="-4.6856" />
+  <C value="-1.2678" />
+  <D value="-0.00075424" />
+  <E value="-4.7962E-07" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="596.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.014659" />
+  <B value="0.3596" />
+  <C value="28.311" />
+  <D value="846250" />
+  <Tmin units="K"  value="396.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013995" />
+  <B value="21.416" />
+  <C value="-2.9689" />
+  <D value="-0.00029298" />
+  <E value="-0.0000033433" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="574.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-46666" />
+  <B value="819.31" />
+  <C value="-0.42362" />
+  <D value="0.000077591" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.538" />
+  <B value="3061.4" />
+  <C value="-56.887" />
+  <Tmin units="K"  value="358.11" />
+  <Tmax units="K"  value="531.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4752" />
+  <B value="-0.015117" />
+  <Tmin units="K"  value="184.99" />
+  <Tmax units="K"  value="396.58" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.840729E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="363.458" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.24932" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0569831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.780271" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2416" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145347" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.00729" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.23737" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2416" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145347" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6876-23-9" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])([C@]([H])(C)(CCC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="144" />
+<CompoundID name="Name"  value="Cis-1,3-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH(CH3)(CH2)3-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="591.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="393.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="197.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.562747" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.147281" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2414" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.972E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15640" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.84765E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.98319E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370451" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08211E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91108" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.85972E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4975" />
+  <B value="-0.0053365" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.03" />
+  <Tmax units="K"  value="197.58" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.56146" />
+  <B value="0.25431" />
+  <C value="591.15" />
+  <D value="0.28196" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.304" />
+  <B value="-6952.9" />
+  <C value="-8.6838" />
+  <D value="0.000005071" />
+  <E value="2" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.8345E+07" />
+  <B value="2.0984" />
+  <C value="-4.3187" />
+  <D value="4.4054" />
+  <E value="-1.7047" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12749" />
+  <B value="1536.3" />
+  <C value="-10.653" />
+  <D value="0.050633" />
+  <E value="-0.000085289" />
+  <Tmin units="K"  value="11.75" />
+  <Tmax units="K"  value="182.14" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91638" />
+  <B value="67.51" />
+  <C value="9.6813" />
+  <D value="0.0069535" />
+  <E value="-0.0000034278" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100690" />
+  <B value="-836.69" />
+  <C value="13.908" />
+  <D value="-0.00051206" />
+  <E value="1.3582E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24082" />
+  <B value="-317.36" />
+  <C value="-39.085" />
+  <D value="-11376" />
+  <E value="30465" />
+  <Tmin units="K"  value="295.58" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.068" />
+  <B value="1358.3" />
+  <C value="1.3526" />
+  <D value="-0.0000038202" />
+  <E value="2" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000012434" />
+  <B value="0.44274" />
+  <C value="472.75" />
+  <D value="75.213" />
+  <Tmin units="K"  value="393.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.04198" />
+  <B value="-3.8682" />
+  <C value="-1.5284" />
+  <D value="-0.00074068" />
+  <E value="-0.0000011056" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.015195" />
+  <B value="0.35206" />
+  <C value="-46.167" />
+  <D value="870770" />
+  <Tmin units="K"  value="393.24" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081816" />
+  <B value="58.739" />
+  <C value="-3.5009" />
+  <D value="0.0012572" />
+  <E value="-0.0000062077" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="591.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-42404" />
+  <B value="786.83" />
+  <C value="-0.37657" />
+  <D value="0.000059811" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.487" />
+  <B value="2985.3" />
+  <C value="-60.096" />
+  <Tmin units="K"  value="356.47" />
+  <Tmax units="K"  value="529.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.696" />
+  <B value="-0.014492" />
+  <Tmin units="K"  value="197.58" />
+  <Tmax units="K"  value="393.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.912149E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.7583" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0570895" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.770374" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2414" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147281" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.010622" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2414" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15640" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.147281" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="638-04-0" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(C[C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="145" />
+<CompoundID name="Name"  value="Trans-1,3-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH(CH3)(CH2)3-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="598.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.61" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.07" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0422148" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.143768" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2356" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.982E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.76565E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.63171E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="376225" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9865870" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.80546" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86695E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8511" />
+  <B value="-0.0059845" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.22" />
+  <Tmax units="K"  value="183.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51304" />
+  <B value="0.23992" />
+  <C value="598.15" />
+  <D value="0.27441" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="576.16" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.341" />
+  <B value="-7070.2" />
+  <C value="-8.6503" />
+  <D value="0.0000047054" />
+  <E value="2" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9382E+07" />
+  <B value="2.1184" />
+  <C value="-4.4766" />
+  <D value="4.6776" />
+  <E value="-1.8318" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2368.7" />
+  <B value="925.58" />
+  <C value="0.83506" />
+  <D value="-0.035655" />
+  <E value="0.00013914" />
+  <Tmin units="K"  value="26.36" />
+  <Tmax units="K"  value="171.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121960" />
+  <B value="76.643" />
+  <C value="8.8176" />
+  <D value="0.0095602" />
+  <E value="-0.0000057205" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="397.61" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101700" />
+  <B value="-844.25" />
+  <C value="13.931" />
+  <D value="-0.00056374" />
+  <E value="1.5762E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24033" />
+  <B value="-319.57" />
+  <C value="-41.842" />
+  <D value="-2180.6" />
+  <E value="3918.4" />
+  <Tmin units="K"  value="299" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.854" />
+  <B value="1074.4" />
+  <C value="-0.03203" />
+  <D value="4.561E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="183.07" />
+  <Tmax units="K"  value="478.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000023976" />
+  <B value="0.3653" />
+  <C value="664.66" />
+  <D value="3836.7" />
+  <Tmin units="K"  value="397.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046977" />
+  <B value="2.8897" />
+  <C value="-1.5646" />
+  <D value="-0.00046419" />
+  <E value="-0.0000013304" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="397.61" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.016485" />
+  <B value="0.34326" />
+  <C value="5.6687" />
+  <D value="894520" />
+  <Tmin units="K"  value="397.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081604" />
+  <B value="50.552" />
+  <C value="-3.3636" />
+  <D value="0.0009936" />
+  <E value="-0.0000060087" />
+  <Tmin units="K"  value="183.05" />
+  <Tmax units="K"  value="598" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40884" />
+  <B value="783.56" />
+  <C value="-0.38232" />
+  <D value="0.000063738" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.425" />
+  <B value="2962.4" />
+  <C value="-64.71" />
+  <Tmin units="K"  value="360.62" />
+  <Tmax units="K"  value="532.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0122" />
+  <B value="-0.010989" />
+  <Tmin units="K"  value="183.07" />
+  <Tmax units="K"  value="478.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.87092E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="359.8914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565457" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.790566" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2356" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.143768" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.014903" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2356" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.143768" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-03-6" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(C[C@]([H])(C)(CC1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="146" />
+<CompoundID name="Name"  value="Cis-1,4-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH2CH(CH3)(CH2)2-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="598.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2938430" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.744" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0704204" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.144106" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.905E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.76648E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.79489E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370451" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9307730" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.76732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86704E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7979" />
+  <B value="-0.0058522" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.29" />
+  <Tmax units="K"  value="185.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53336" />
+  <B value="0.24533" />
+  <C value="598.15" />
+  <D value="0.2771" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="79.163" />
+  <B value="-7004.6" />
+  <C value="-8.4779" />
+  <D value="0.0000046053" />
+  <E value="2" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="598.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1514E+07" />
+  <B value="2.3724" />
+  <C value="-5.2021" />
+  <D value="5.4751" />
+  <E value="-2.1521" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15617" />
+  <B value="1688.8" />
+  <C value="-13.402" />
+  <D value="0.071342" />
+  <E value="-0.00014259" />
+  <Tmin units="K"  value="19.17" />
+  <Tmax units="K"  value="173.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110770" />
+  <B value="140.07" />
+  <C value="8.7617" />
+  <D value="0.0091373" />
+  <E value="-0.0000048302" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101700" />
+  <B value="-844.25" />
+  <C value="13.931" />
+  <D value="-0.00056374" />
+  <E value="1.5762E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23973" />
+  <B value="-318.64" />
+  <C value="-42.246" />
+  <D value="-26.054" />
+  <E value="-2319.1" />
+  <Tmin units="K"  value="299.08" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.704" />
+  <B value="1391.4" />
+  <C value="1.6378" />
+  <D value="-0.0000047953" />
+  <E value="2" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000024207" />
+  <B value="0.36412" />
+  <C value="666.44" />
+  <D value="4231" />
+  <Tmin units="K"  value="397.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.063527" />
+  <B value="3.3026" />
+  <C value="-1.4941" />
+  <D value="-0.0004362" />
+  <E value="-0.0000011663" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.016747" />
+  <B value="0.34072" />
+  <C value="-1.7965" />
+  <D value="898230" />
+  <Tmin units="K"  value="397.47" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.013074" />
+  <B value="24.299" />
+  <C value="-3.0007" />
+  <D value="-0.00018331" />
+  <E value="-0.0000036266" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="576.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-40884" />
+  <B value="783.56" />
+  <C value="-0.38232" />
+  <D value="0.000063738" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.447" />
+  <B value="2982.9" />
+  <C value="-63.108" />
+  <Tmin units="K"  value="359.37" />
+  <Tmax units="K"  value="533.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4904" />
+  <B value="-0.015056" />
+  <Tmin units="K"  value="185.72" />
+  <Tmax units="K"  value="397.47" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.87092E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="359.8914" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.50855" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0569489" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.787298" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2348" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.144106" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.007723" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.55767" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2348" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15980" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.144106" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-29-3" />
+<Smiles name="SMILES"  value="C1[C@@](C)([H])(CC[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="147" />
+<CompoundID name="Name"  value="Trans-1,4-dimethylcyclohexane" />
+<StructureFormula name="Structure"  value="-CH(CH3)CH2CH2CH(CH3)(CH2)2-" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="590.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2940000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.45" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.51" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="236.21" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="236.21" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="44.9802" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.147921" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2429" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.907E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08068" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.021E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.84598E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.17147E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="364803" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2332E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.732" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.86026E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1298" />
+  <B value="-0.0043046" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.48" />
+  <Tmax units="K"  value="236.21" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.064652" />
+  <B value="0.087885" />
+  <C value="590.15" />
+  <D value="0.13093" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.56244" />
+  <B value="-7078.051" />
+  <C value="-9.547047" />
+  <D value="6.602527E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5648E+07" />
+  <B value="0.9536" />
+  <C value="-1.3747" />
+  <D value="1.3927" />
+  <E value="-0.55606" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27978" />
+  <B value="-360.95" />
+  <C value="18.399" />
+  <D value="-0.12928" />
+  <E value="0.00030483" />
+  <Tmin units="K"  value="42.39" />
+  <Tmax units="K"  value="220.61" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119770" />
+  <B value="186.95" />
+  <C value="7.9604" />
+  <D value="0.011554" />
+  <E value="-0.0000069633" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="392.51" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97979" />
+  <B value="-830.68" />
+  <C value="13.935" />
+  <D value="-0.00055238" />
+  <E value="1.5056E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24172" />
+  <B value="-316.33" />
+  <C value="-39.161" />
+  <D value="-2542.7" />
+  <E value="4823.9" />
+  <Tmin units="K"  value="293.85" />
+  <Tmax units="K"  value="1885.08" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7946" />
+  <B value="1113.8" />
+  <C value="-0.41314" />
+  <D value="9.8767E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.6365E-07" />
+  <B value="0.52158" />
+  <C value="345.67" />
+  <D value="-1560.6" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0015458" />
+  <B value="-71.843" />
+  <C value="-1.1073" />
+  <D value="-0.0027831" />
+  <E value="1.5512E-07" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="392.51" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.012496" />
+  <B value="0.37939" />
+  <C value="-0.8405" />
+  <D value="811480" />
+  <Tmin units="K"  value="392.51" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.087781" />
+  <B value="-24.069" />
+  <C value="-1.6989" />
+  <D value="-0.0016706" />
+  <E value="8.2848E-07" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="587.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-49692" />
+  <B value="818.1" />
+  <C value="-0.41274" />
+  <D value="0.000071848" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.823" />
+  <B value="3222.8" />
+  <C value="-45.899" />
+  <Tmin units="K"  value="355" />
+  <Tmax units="K"  value="530" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6989" />
+  <B value="-0.011979" />
+  <Tmin units="K"  value="236.21" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438832" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.850979E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="350.4008" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.9739" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0567868" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.766148" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2429" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.147921" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3936" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.021283" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.8685" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2429" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.147921" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="3"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="78"  value="4" />
+  <group id="79"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2207-04-7" />
+<Smiles name="SMILES"  value="C1[C@](C)([H])(CC[C@]([H])(C)(C1))" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="62" />
+<CompoundID name="Name"  value="Tert-butylcyclohexane" />
+<StructureFormula name="Structure"  value="C6H11C(CH3)3" />
+<Family name="Family"  value="7" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="652" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.51" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="231.98" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="231.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="140.266" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1734" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.299134" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.413E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1023" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.368E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.169E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5.695E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="445700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.091E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="7.857" />
+  <B value="-0.004234" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="92.79" />
+  <Tmax units="K"  value="231.98" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52388" />
+  <B value="0.26705" />
+  <C value="652" />
+  <D value="0.32913" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="123.1664" />
+  <B value="-9675.557" />
+  <C value="-15.08186" />
+  <D value="0.0000105041" />
+  <E value="2" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="652" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9454E+07" />
+  <B value="0.40915" />
+  <C value="1.6494" />
+  <D value="-3.4494" />
+  <E value="1.9573" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7696.3" />
+  <B value="1009" />
+  <C value="-1.0555" />
+  <D value="0.0022168" />
+  <E value="-0.0000028006" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="231.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40996" />
+  <B value="-122.74" />
+  <C value="11.846" />
+  <D value="0.0032488" />
+  <E value="-0.0000015611" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95339" />
+  <B value="-601.24" />
+  <C value="13.623" />
+  <D value="-0.000018521" />
+  <E value="-1.574E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29828" />
+  <B value="-390.95" />
+  <C value="-86.65" />
+  <D value="-19290" />
+  <E value="30745" />
+  <Tmin units="K"  value="326" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.549" />
+  <B value="1445.9" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6046E-08" />
+  <B value="0.87493" />
+  <C value="72.873" />
+  <D value="-5600.2" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.054405" />
+  <B value="-203.55" />
+  <C value="-0.50495" />
+  <D value="-0.0065818" />
+  <E value="0.0000029095" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.077607" />
+  <B value="0.14004" />
+  <C value="-91.94" />
+  <D value="1372500" />
+  <Tmin units="K"  value="444.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.089059" />
+  <B value="-24.697" />
+  <C value="-1.6764" />
+  <D value="-0.0015612" />
+  <E value="7.2073E-07" />
+  <Tmin units="K"  value="231.98" />
+  <Tmax units="K"  value="629.89" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-78018" />
+  <B value="1134.2" />
+  <C value="-0.67392" />
+  <D value="0.00015048" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.565" />
+  <B value="3373.6" />
+  <C value="-71.505" />
+  <Tmin units="K"  value="392.72" />
+  <Tmax units="K"  value="585.68" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.57156" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.868773E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.5641" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="205.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.069791" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81854" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.299134" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1734" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7417" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.472" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.000764" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.299134" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1734" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="4"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="5" />
+  <group id="3"  value="1" />
+  <group id="4"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="78"  value="5" />
+  <group id="79"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3178-22-1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="511" />
+<CompoundID name="Name"  value="O-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="651.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="438.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00376669" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136967" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2941" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.084E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1213360" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.31055E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="399350" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9962100" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96524" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94607E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.148" />
+  <B value="-0.0059039" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.94" />
+  <Tmax units="K"  value="192.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.37928" />
+  <B value="0.20513" />
+  <C value="651.15" />
+  <D value="0.23356" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="646.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.1971" />
+  <B value="-8650.261" />
+  <C value="-10.86209" />
+  <D value="5.918239E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.227273E+07" />
+  <B value="1.968046" />
+  <C value="-3.535916" />
+  <D value="3.107317" />
+  <E value="-1.061436" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="651.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-102370" />
+  <B value="-26.419" />
+  <C value="12.162" />
+  <D value="0.0026059" />
+  <E value="-0.000002126" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="438.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85432" />
+  <B value="-569.61" />
+  <C value="13.054" />
+  <D value="0.000095945" />
+  <E value="-4.3717E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28121" />
+  <B value="-390.33" />
+  <C value="-73.261" />
+  <D value="-55800" />
+  <E value="123430" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1953" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.303" />
+  <B value="1378.1" />
+  <C value="-0.24629" />
+  <D value="5.1436E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.4089E-07" />
+  <B value="0.56719" />
+  <C value="270.1" />
+  <D value="-4560.2" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059289" />
+  <B value="4.2071" />
+  <C value="-1.4739" />
+  <D value="-0.00039236" />
+  <E value="-0.0000010623" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="438.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000092842" />
+  <B value="1.0422" />
+  <C value="544.16" />
+  <D value="63099" />
+  <Tmin units="K"  value="438.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095325" />
+  <B value="42.422" />
+  <C value="-3.1128" />
+  <D value="0.0004594" />
+  <E value="-0.0000045591" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="650" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1934.6" />
+  <B value="607.55" />
+  <C value="-0.29066" />
+  <D value="0.000046885" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.073" />
+  <B value="3576.5" />
+  <C value="-63.713" />
+  <Tmin units="K"  value="394.26" />
+  <Tmax units="K"  value="577.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7738" />
+  <B value="-0.013269" />
+  <Tmin units="K"  value="192.35" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.253199E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.0414" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565227" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.885597" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2941" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136967" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.047885" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2941" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136967" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="611-14-3" />
+<Smiles name="SMILES"  value="c1(CC)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="512" />
+<CompoundID name="Name"  value="M-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2840000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.49" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="177.61" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000664959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.192" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.139685" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3232" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.265E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1920000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.2643E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="404280" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7610000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98305" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94377E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.088" />
+  <B value="-0.0063302" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="71.04" />
+  <Tmax units="K"  value="177.61" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61007" />
+  <B value="0.26045" />
+  <C value="637.15" />
+  <D value="0.2946" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.906" />
+  <B value="-6895.5" />
+  <C value="-5.4176" />
+  <D value="0.00000211" />
+  <E value="2" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="637.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.562712E+07" />
+  <B value="1.251642" />
+  <C value="-2.311984" />
+  <D value="2.123485" />
+  <E value="-0.635116" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="637.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136340" />
+  <B value="-1484.6" />
+  <C value="20.724" />
+  <D value="-0.020829" />
+  <E value="0.000018949" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77831" />
+  <B value="-586.35" />
+  <C value="13.16" />
+  <D value="0.0000010287" />
+  <E value="-1.3417E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30122" />
+  <B value="-402.05" />
+  <C value="-67.704" />
+  <D value="-53853" />
+  <E value="119410" />
+  <Tmin units="K"  value="318.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.732" />
+  <B value="1285.7" />
+  <C value="-0.12931" />
+  <D value="2.7444E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7246E-07" />
+  <B value="0.55389" />
+  <C value="274.11" />
+  <D value="-5848.6" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.048117" />
+  <B value="4.2831" />
+  <C value="-1.5331" />
+  <D value="-0.00039971" />
+  <E value="-0.0000012216" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000091259" />
+  <B value="1.0513" />
+  <C value="653.39" />
+  <D value="40428" />
+  <Tmin units="K"  value="434.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.008518" />
+  <B value="41.345" />
+  <C value="-3.1089" />
+  <D value="0.00042327" />
+  <E value="-0.0000050765" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="612.96" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22026" />
+  <B value="689.66" />
+  <C value="-0.38171" />
+  <D value="0.000078428" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.48" />
+  <B value="3836.8" />
+  <C value="-48.994" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="564.59" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9923" />
+  <B value="-0.016106" />
+  <Tmin units="K"  value="177.61" />
+  <Tmax units="K"  value="434.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.618039E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.61" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0566058" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.869111" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3232" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139685" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.036093" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3232" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17630" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139685" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="620-14-4" />
+<Smiles name="SMILES"  value="c1(CC)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="513" />
+<CompoundID name="Name"  value="P-ethyltoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="640.2" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.44" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="435.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="210.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="210.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0782406" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1396" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.364" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.189E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08089" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.019E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3260000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.268E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="398900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.336E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.26912" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94268E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8403" />
+  <B value="-0.0052743" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="84.33" />
+  <Tmax units="K"  value="210.83" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60155" />
+  <B value="0.25704" />
+  <C value="640.2" />
+  <D value="0.31664" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="21.19382" />
+  <B value="-5103.792" />
+  <C value="0.409026" />
+  <D value="-2.319216E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="640.23" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.1677E+07" />
+  <B value="1.0708" />
+  <C value="-1.1055" />
+  <D value="0.62044" />
+  <E value="-0.16372" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="188730" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="640.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="30748" />
+  <B value="-85.511" />
+  <C value="11.539" />
+  <D value="0.0037389" />
+  <E value="-0.0000030029" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75636" />
+  <B value="-568.13" />
+  <C value="13.103" />
+  <D value="0.000082441" />
+  <E value="-4.4902E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25573" />
+  <B value="-344.8" />
+  <C value="-83.9" />
+  <D value="-25209" />
+  <E value="34327" />
+  <Tmin units="K"  value="320" />
+  <Tmax units="K"  value="1920" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-23.973" />
+  <B value="1681.2" />
+  <C value="1.9315" />
+  <D value="6.328E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7075E-07" />
+  <B value="0.5347" />
+  <C value="318.96" />
+  <D value="-7211.9" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.065655" />
+  <B value="1.2156" />
+  <C value="-1.4285" />
+  <D value="-0.00047761" />
+  <E value="-9.6417E-07" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000095782" />
+  <B value="1.0471" />
+  <C value="660.61" />
+  <D value="40132" />
+  <Tmin units="K"  value="435.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0089903" />
+  <B value="31.501" />
+  <C value="-3.0152" />
+  <D value="0.00008036" />
+  <E value="-0.0000045289" />
+  <Tmin units="K"  value="210.83" />
+  <Tmax units="K"  value="617.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="42379" />
+  <B value="144.55" />
+  <C value="1.1308" />
+  <D value="-0.0016046" />
+  <E value="6.4994E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.064" />
+  <B value="3570" />
+  <C value="-60.902" />
+  <Tmin units="K"  value="385.57" />
+  <Tmax units="K"  value="573.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0788" />
+  <B value="-0.01068" />
+  <Tmin units="K"  value="220" />
+  <Tmax units="K"  value="435.16" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.440073" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.179642E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.9297" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.68733" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0574321" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866093" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.364" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3322" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.076" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.036093" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.75305" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.364" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1396" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="622-96-8" />
+<Smiles name="SMILES"  value="c1(CC)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="514" />
+<CompoundID name="Name"  value="1,2,3-trimethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="664.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3454000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="449.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="247.79" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="247.79" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.70834" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13322" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.367" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.127E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08181" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9568810" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.244E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8170000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1114" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.93394E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7697" />
+  <B value="-0.0043665" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.12" />
+  <Tmax units="K"  value="247.79" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.47081" />
+  <B value="0.22935" />
+  <C value="664.5" />
+  <D value="0.22914" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="664.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.4032" />
+  <B value="-9139.734" />
+  <C value="-11.94112" />
+  <D value="6.875135E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="664.5" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.897E+07" />
+  <B value="0.31296" />
+  <C value="0.11034" />
+  <D value="-0.18707" />
+  <E value="0.12203" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="642.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="165120" />
+  <B value="-5147.2" />
+  <C value="80.052" />
+  <D value="-0.45918" />
+  <E value="0.00093095" />
+  <Tmin units="K"  value="59.99" />
+  <Tmax units="K"  value="230.27" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="158190" />
+  <B value="-110.87" />
+  <C value="9.7005" />
+  <D value="0.0066246" />
+  <E value="-0.000003875" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97344" />
+  <B value="-642.53" />
+  <C value="13.123" />
+  <D value="0.000061931" />
+  <E value="-4.6438E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26373" />
+  <B value="-348.47" />
+  <C value="-92.015" />
+  <D value="-13079" />
+  <E value="-14420" />
+  <Tmin units="K"  value="332.23" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.622" />
+  <B value="1547.6" />
+  <C value="0.25604" />
+  <D value="-4.4218E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="449.27" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8569E-07" />
+  <B value="0.49843" />
+  <C value="362.98" />
+  <D value="-102.15" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.066267" />
+  <B value="303.46" />
+  <C value="-5.2163" />
+  <D value="0.0092731" />
+  <E value="-0.000014825" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000093303" />
+  <B value="1.0419" />
+  <C value="539.24" />
+  <D value="56545" />
+  <Tmin units="K"  value="449.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0045939" />
+  <B value="547.15" />
+  <C value="-7.5443" />
+  <D value="0.012641" />
+  <E value="-0.000016044" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="642.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33607" />
+  <B value="259.01" />
+  <C value="0.84683" />
+  <D value="-0.0013521" />
+  <E value="5.7553E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.569" />
+  <B value="4045.6" />
+  <C value="-46.375" />
+  <Tmin units="K"  value="399.82" />
+  <Tmax units="K"  value="595" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.023" />
+  <B value="-0.01311" />
+  <Tmin units="K"  value="247.79" />
+  <Tmax units="K"  value="449.27" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.895957E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="373.9802" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.66379" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0557463" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.899219" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.367" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13322" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014458" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.1405" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.367" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13322" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="526-73-8" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="515" />
+<CompoundID name="Name"  value="1,2,4-trimethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="649.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3232000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.49" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="229.38" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.69347" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.377" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.199E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08181" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.392E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.17E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="395870" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.319E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1182" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.93067E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.7544" />
+  <B value="-0.0047176" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.73" />
+  <Tmax units="K"  value="229.38" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61782" />
+  <B value="0.26243" />
+  <C value="649.1" />
+  <D value="0.28053" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="60.23044" />
+  <B value="-7113.208" />
+  <C value="-5.408973" />
+  <D value="1.637451E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="649.17" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6212E+07" />
+  <B value="0.612793" />
+  <C value="0.157992" />
+  <D value="-1.024462" />
+  <E value="0.66352" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11144" />
+  <B value="1377.6" />
+  <C value="-5.4631" />
+  <D value="0.013913" />
+  <E value="-0.000011765" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="229.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="159260" />
+  <B value="100.48" />
+  <C value="7.176" />
+  <D value="0.015511" />
+  <E value="-0.000013842" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="377.59" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86220" />
+  <B value="-588.22" />
+  <C value="13.049" />
+  <D value="0.00013217" />
+  <E value="-6.3042E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21967" />
+  <B value="-308.5" />
+  <C value="-93.453" />
+  <D value="-7582" />
+  <E value="-20640" />
+  <Tmin units="K"  value="324.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-22.655" />
+  <B value="1676.9" />
+  <C value="1.8204" />
+  <D value="-0.0000040799" />
+  <E value="2" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0311E-07" />
+  <B value="0.47728" />
+  <C value="388.95" />
+  <D value="-1321.5" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.097311" />
+  <B value="-7.9329" />
+  <C value="-1.1933" />
+  <D value="-0.00075728" />
+  <E value="-4.2291E-07" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000071734" />
+  <B value="1.0715" />
+  <C value="503.12" />
+  <D value="48355" />
+  <Tmin units="K"  value="442.53" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011514" />
+  <B value="38.782" />
+  <C value="-3.0516" />
+  <D value="0.00024183" />
+  <E value="-0.0000039588" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="627.01" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44225" />
+  <B value="166.9" />
+  <C value="1.0006" />
+  <D value="-0.0014029" />
+  <E value="5.5599E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.638772" />
+  <B value="-1100" />
+  <C value="-6.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.398" />
+  <B value="3864.8" />
+  <C value="-51.014" />
+  <Tmin units="K"  value="392.48" />
+  <Tmax units="K"  value="583.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0344" />
+  <B value="-0.013005" />
+  <Tmin units="K"  value="229.33" />
+  <Tmax units="K"  value="442.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.25304E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.9704" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.5894" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565352" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880542" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.377" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.010675" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.98594" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.377" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-63-6" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="516" />
+<CompoundID name="Name"  value="Mesitylene" />
+<StructureFormula name="Structure"  value="(C6H3)(CH3)3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="637.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3127000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.43" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="437.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="228.46" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="228.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.742135" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="120.194" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14299" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.399" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.375E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08183" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.026E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.605E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.181E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="385410" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9514000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.05218" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.92904E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6603" />
+  <B value="-0.004682" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.37" />
+  <Tmax units="K"  value="228.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59019" />
+  <B value="0.25742" />
+  <C value="637.3" />
+  <D value="0.27724" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="118.5616" />
+  <B value="-9560.276" />
+  <C value="-14.30644" />
+  <D value="9.375247E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9292E+07" />
+  <B value="1.0706" />
+  <C value="-1.5094" />
+  <D value="1.269" />
+  <E value="-0.42864" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5866.5" />
+  <B value="1641.6" />
+  <C value="-10.768" />
+  <D value="0.042606" />
+  <E value="-0.000061561" />
+  <Tmin units="K"  value="40" />
+  <Tmax units="K"  value="228.42" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152130" />
+  <B value="279.49" />
+  <C value="4.8304" />
+  <D value="0.024632" />
+  <E value="-0.000024309" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76799" />
+  <B value="-561.49" />
+  <C value="13.016" />
+  <D value="0.00018488" />
+  <E value="-8.0041E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24882" />
+  <B value="-343.87" />
+  <C value="-78.688" />
+  <D value="-32243" />
+  <E value="54062" />
+  <Tmin units="K"  value="318.64" />
+  <Tmax units="K"  value="1911.84" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.283" />
+  <B value="1439.3" />
+  <C value="-0.15787" />
+  <D value="0.0000019934" />
+  <E value="2" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.4877E-07" />
+  <B value="0.61399" />
+  <C value="342.31" />
+  <D value="-16742" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.012521" />
+  <B value="77.398" />
+  <C value="-2.4912" />
+  <D value="0.0027181" />
+  <E value="-0.0000053908" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.3225" />
+  <B value="-0.079944" />
+  <C value="-464.54" />
+  <D value="1938200" />
+  <Tmin units="K"  value="437.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.055828" />
+  <B value="-26.825" />
+  <C value="-1.91" />
+  <D value="-0.0017202" />
+  <E value="3.8899E-07" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="637.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44108" />
+  <B value="166.61" />
+  <C value="0.96498" />
+  <D value="-0.0013567" />
+  <E value="5.4069E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.468" />
+  <B value="3822" />
+  <C value="-53.453" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="573.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0703" />
+  <B value="-0.013286" />
+  <Tmin units="K"  value="228.42" />
+  <Tmax units="K"  value="437.89" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.445635" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.362983E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="291.2722" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.52" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.057193" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.869455" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.399" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14299" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3928" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.104" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.399" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14299" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="1"  value="3" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-67-8" />
+<Smiles name="SMILES"  value="c1(C)cc(C)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="519" />
+<CompoundID name="Name"  value="Isobutylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH2CH(CH3)2" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="650" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3050000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="445.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.7" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.7" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.289087" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15808" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.555E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09019" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.146E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.054E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.388E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.25E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0374" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.56974E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6003" />
+  <B value="-0.0043101" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="88.68" />
+  <Tmax units="K"  value="221.7" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54967" />
+  <B value="0.26271" />
+  <C value="650" />
+  <D value="0.30807" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="97.24209" />
+  <B value="-8752.864" />
+  <C value="-11.04244" />
+  <D value="6.424651E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="650" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.0838E+07" />
+  <B value="0.30052" />
+  <C value="0.25612" />
+  <D value="-0.19969" />
+  <E value="-0.0011249" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6990.9" />
+  <B value="980.23" />
+  <C value="-2.1589" />
+  <D value="0.0063245" />
+  <E value="-0.0000082806" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="221.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116150" />
+  <B value="-36.608" />
+  <C value="10.189" />
+  <D value="0.0074074" />
+  <E value="-0.0000060747" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83364" />
+  <B value="-556.41" />
+  <C value="13.277" />
+  <D value="0.000016037" />
+  <E value="-2.0047E-08" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30201" />
+  <B value="-383.93" />
+  <C value="-94.545" />
+  <D value="-4562.5" />
+  <E value="-39381" />
+  <Tmin units="K"  value="325" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.546" />
+  <B value="1392.5" />
+  <C value="0.17362" />
+  <D value="-2.3672E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.8764E-07" />
+  <B value="0.58977" />
+  <C value="249.51" />
+  <D value="1034.4" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.033263" />
+  <B value="-23.962" />
+  <C value="-1.3695" />
+  <D value="-0.001338" />
+  <E value="-2.5251E-07" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000022162" />
+  <B value="1.2141" />
+  <C value="174.06" />
+  <D value="50162" />
+  <Tmin units="K"  value="445.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0096431" />
+  <B value="44.533" />
+  <C value="-3.1993" />
+  <D value="0.00043442" />
+  <E value="-0.0000043503" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="627.46" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-39186" />
+  <B value="861.97" />
+  <C value="-0.52789" />
+  <D value="0.00012235" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.764801" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="270.8167" />
+  <Tmax units="K"  value="440.8167" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.694" />
+  <B value="4111.8" />
+  <C value="-41.494" />
+  <Tmin units="K"  value="390.04" />
+  <Tmax units="K"  value="582.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7768" />
+  <B value="-0.013263" />
+  <Tmin units="K"  value="221.7" />
+  <Tmax units="K"  value="445.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.99996E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="385.9366" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641263" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.857681" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15808" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.013419" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16860" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15808" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="9"  value="5" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="538-93-2" />
+<Smiles name="SMILES"  value="c1(CC(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="520" />
+<CompoundID name="Name"  value="Sec-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)CH(CH3)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="664.54" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2930000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.48" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="197.717" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="197.717" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00180534" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156497" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.279149" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.564E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09019" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.146E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.73E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4523E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9830000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.87947" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.563E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7924" />
+  <B value="-0.0049215" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.09" />
+  <Tmax units="K"  value="197.72" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51273" />
+  <B value="0.25494" />
+  <C value="664.54" />
+  <D value="0.28096" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="222.2329" />
+  <B value="-13854.88" />
+  <C value="-30.30702" />
+  <D value="0.0000262583" />
+  <E value="2" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.1793E+07" />
+  <B value="-4.1563" />
+  <C value="12.591" />
+  <D value="-13.449" />
+  <E value="5.2588" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="664.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="163140" />
+  <B value="-1794.7" />
+  <C value="23.385" />
+  <D value="-0.029199" />
+  <E value="0.000028" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="498.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118430" />
+  <B value="-784.79" />
+  <C value="13.745" />
+  <D value="-0.00050199" />
+  <E value="1.4393E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32727" />
+  <B value="-453.4" />
+  <C value="-94.023" />
+  <D value="22089" />
+  <E value="-123210" />
+  <Tmin units="K"  value="289.72" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-9.695648" />
+  <B value="-444.5934" />
+  <C value="-129.1082" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="161.3" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001223" />
+  <B value="0.44278" />
+  <C value="495.81" />
+  <D value="151.45" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.042864" />
+  <B value="5.3464" />
+  <C value="-1.6033" />
+  <D value="-0.00035754" />
+  <E value="-0.0000011781" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000022" />
+  <B value="1.2101" />
+  <C value="186.5" />
+  <D value="49434" />
+  <Tmin units="K"  value="446.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0072678" />
+  <B value="56.315" />
+  <C value="-3.3559" />
+  <D value="0.00098625" />
+  <E value="-0.0000052989" />
+  <Tmin units="K"  value="197.72" />
+  <Tmax units="K"  value="664.54" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13101" />
+  <B value="760.71" />
+  <C value="-0.41343" />
+  <D value="0.000082333" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.126" />
+  <B value="3014.6" />
+  <C value="-95.941" />
+  <Tmin units="K"  value="399.82" />
+  <Tmax units="K"  value="590.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.746" />
+  <B value="-0.031996" />
+  <Tmin units="K"  value="161.3" />
+  <Tmax units="K"  value="446.48" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.180576E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="364.0151" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.37782" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0633935" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.86584" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.279149" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156497" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01848" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.36042" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.279149" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156497" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="135-98-8" />
+<Smiles name="SMILES"  value="c1(C(C)CC)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="521" />
+<CompoundID name="Name"  value="Tert-butylbenzene" />
+<StructureFormula name="Structure"  value="(C6H5)C(CH3)2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.46" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.3" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="215.27" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="215.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0910321" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155605" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.267406" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.318E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17130" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.33E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09018" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.166E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.4995E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8393000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.77053" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5547E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8005" />
+  <B value="-0.0046306" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.11" />
+  <Tmax units="K"  value="215.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50957" />
+  <B value="0.25071" />
+  <C value="660" />
+  <D value="0.30584" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.574" />
+  <B value="-8352.2" />
+  <C value="-9.5118" />
+  <D value="0.0000039953" />
+  <E value="2" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.3167E+07" />
+  <B value="0.45262" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="44844" />
+  <B value="-193.06" />
+  <C value="10.001" />
+  <D value="-0.051599" />
+  <E value="0.00010323" />
+  <Tmin units="K"  value="92.2" />
+  <Tmax units="K"  value="215.27" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="164930" />
+  <B value="701.24" />
+  <C value="1.184" />
+  <D value="0.037122" />
+  <E value="-0.000038006" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="325" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113750" />
+  <B value="-776.86" />
+  <C value="13.825" />
+  <D value="-0.0005797" />
+  <E value="1.6467E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31169" />
+  <B value="-443.18" />
+  <C value="-79.486" />
+  <D value="-14909" />
+  <E value="-8902.2" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1815" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.7" />
+  <B value="1364.1" />
+  <C value="0.038741" />
+  <D value="-3.8013E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2957E-07" />
+  <B value="0.50871" />
+  <C value="384.51" />
+  <D value="-23.513" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.052023" />
+  <B value="-143.3" />
+  <C value="-0.69673" />
+  <D value="-0.0057333" />
+  <E value="0.0000022627" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000018955" />
+  <B value="1.2291" />
+  <C value="130.74" />
+  <D value="53349" />
+  <Tmin units="K"  value="442.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0065659" />
+  <B value="74.035" />
+  <C value="-3.5401" />
+  <D value="0.001524" />
+  <E value="-0.0000060556" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="660" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-27299" />
+  <B value="830.02" />
+  <C value="-0.48525" />
+  <D value="0.00010401" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.362" />
+  <B value="3143.6" />
+  <C value="-86.505" />
+  <Tmin units="K"  value="398.09" />
+  <Tmax units="K"  value="589.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5924" />
+  <B value="-0.013801" />
+  <Tmin units="K"  value="215.27" />
+  <Tmax units="K"  value="442.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.495861" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.057317E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="366.4637" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.84715" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0635105" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.871335" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.267406" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155605" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.584" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.018084" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-0.90376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.267406" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17130" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155605" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="7"  value="5" />
+  <group id="8"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="9"  value="5" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="98-06-6" />
+<Smiles name="SMILES"  value="c1(C(C)(C)C)ccccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="522" />
+<CompoundID name="Name"  value="O-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2895870" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="451.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="201.64" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="201.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0177118" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153824" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.2769" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.439E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.56061E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.37359E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="425500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.56053E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9396" />
+  <B value="-0.0049298" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.66" />
+  <Tmax units="K"  value="201.64" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.017298" />
+  <B value="0.046645" />
+  <C value="670.15" />
+  <D value="0.11526" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.323" />
+  <B value="-6536.6" />
+  <C value="-3.5074" />
+  <D value="6.0254E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.44827E+07" />
+  <B value="3.205721" />
+  <C value="-8.334975" />
+  <D value="9.055186" />
+  <E value="-3.399515" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="670.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130330" />
+  <B value="-123.14" />
+  <C value="10.583" />
+  <D value="0.0062464" />
+  <E value="-0.0000049954" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="451.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105060" />
+  <B value="-664.9" />
+  <C value="13.437" />
+  <D value="-0.00013826" />
+  <E value="2.1794E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.021656" />
+  <B value="-196.81" />
+  <C value="-126.59" />
+  <D value="-24488" />
+  <E value="23531" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.1679" />
+  <B value="885.64" />
+  <C value="-0.29176" />
+  <D value="-7.7161E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="529.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000020745" />
+  <B value="0.37852" />
+  <C value="642.92" />
+  <D value="259.27" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.06145" />
+  <B value="-173.56" />
+  <C value="-0.23519" />
+  <D value="-0.0077758" />
+  <E value="0.0000038715" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="451.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000020459" />
+  <B value="1.2217" />
+  <C value="183.94" />
+  <D value="51167" />
+  <Tmin units="K"  value="451.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012864" />
+  <B value="40.847" />
+  <C value="-2.9372" />
+  <D value="-0.0001363" />
+  <E value="-0.0000031711" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="657" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-31175" />
+  <B value="828.19" />
+  <C value="-0.48457" />
+  <D value="0.00010664" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.481" />
+  <B value="4002" />
+  <C value="-49.35" />
+  <Tmin units="K"  value="402.63" />
+  <Tmax units="K"  value="585.1" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1517" />
+  <B value="-0.0089047" />
+  <Tmin units="K"  value="201.64" />
+  <Tmax units="K"  value="529.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.346598E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="342.7593" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648833" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880891" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.2769" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153824" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.2769" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153824" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="527-84-4" />
+<Smiles name="SMILES"  value="c1(C(C)C)c(C)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="523" />
+<CompoundID name="Name"  value="M-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="666.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.478" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="448.23" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.44" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0405569" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156604" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.342" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.636E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.79909E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.301E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="432200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.37E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.55802E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7359" />
+  <B value="-0.0046553" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.78" />
+  <Tmax units="K"  value="209.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.17699" />
+  <B value="0.14976" />
+  <C value="666.25" />
+  <D value="0.19922" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="625.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="72.132" />
+  <B value="-7676.5" />
+  <C value="-7.2263" />
+  <D value="0.0000031742" />
+  <E value="2" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.132017E+08" />
+  <B value="4.402749" />
+  <C value="-10.71693" />
+  <D value="11.0294" />
+  <E value="-4.113621" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="666.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129560" />
+  <B value="-114.64" />
+  <C value="10.436" />
+  <D value="0.006807" />
+  <E value="-0.0000055776" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118290" />
+  <B value="-808.58" />
+  <C value="13.818" />
+  <D value="-0.00057669" />
+  <E value="1.7291E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12974" />
+  <B value="-253.73" />
+  <C value="-121.92" />
+  <D value="-30910" />
+  <E value="33295" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2582" />
+  <B value="1048.3" />
+  <C value="-0.41448" />
+  <D value="-1.0836E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018208" />
+  <B value="0.39157" />
+  <C value="589.66" />
+  <D value="3771.8" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.042558" />
+  <B value="-18.046" />
+  <C value="-1.3081" />
+  <D value="-0.0015377" />
+  <E value="2.6414E-07" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000098162" />
+  <B value="1.3084" />
+  <C value="45.918" />
+  <D value="51418" />
+  <Tmin units="K"  value="448.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012208" />
+  <B value="47.367" />
+  <C value="-3.0587" />
+  <D value="0.000021368" />
+  <E value="-0.0000033062" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="649" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18198" />
+  <B value="773.31" />
+  <C value="-0.42297" />
+  <D value="0.000085563" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.325" />
+  <B value="3857.2" />
+  <C value="-54.615" />
+  <Tmin units="K"  value="399.78" />
+  <Tmax units="K"  value="579.6" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4735" />
+  <B value="-0.011921" />
+  <Tmin units="K"  value="209.44" />
+  <Tmax units="K"  value="448.23" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.449627E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.8208" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649982" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865347" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.342" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156604" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.004533" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.342" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156604" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="535-77-3" />
+<Smiles name="SMILES"  value="c1(C(C)C)cc(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="524" />
+<CompoundID name="Name"  value="P-cymene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH(CH3)2" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="652" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="450.26" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="205.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="205.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.010391" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15749" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.376" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.557E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09111" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.153E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.799E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.3352E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="426400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9661000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03611" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.7239" />
+  <B value="-0.004728" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.1" />
+  <Tmax units="K"  value="205.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.44838" />
+  <B value="0.23842" />
+  <C value="653.16" />
+  <D value="0.26866" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="130.8986" />
+  <B value="-10357.88" />
+  <C value="-16.09943" />
+  <D value="9.850105E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.966039E+07" />
+  <B value="1.950064" />
+  <C value="-3.032433" />
+  <D value="2.16162" />
+  <E value="-0.588861" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="653.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-68366" />
+  <B value="2952.6" />
+  <C value="-17.388" />
+  <D value="0.036561" />
+  <E value="0.000036293" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="205.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="99148" />
+  <B value="48.442" />
+  <C value="10.281" />
+  <D value="0.006034" />
+  <E value="-0.0000045515" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="450.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119360" />
+  <B value="-822.32" />
+  <C value="13.841" />
+  <D value="-0.00060036" />
+  <E value="1.8085E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.075714" />
+  <B value="-202.54" />
+  <C value="-126.35" />
+  <D value="-27689" />
+  <E value="28143" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.824" />
+  <B value="1974.9" />
+  <C value="2.8359" />
+  <D value="-0.0000010565" />
+  <E value="2" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="522.53" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000032148" />
+  <B value="0.32014" />
+  <C value="730.34" />
+  <D value="10237" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.018679" />
+  <B value="-10.656" />
+  <C value="-1.722" />
+  <D value="-0.0015047" />
+  <E value="-7.6885E-07" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="593.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010761" />
+  <B value="1.0275" />
+  <C value="670.75" />
+  <D value="67288" />
+  <Tmin units="K"  value="450.28" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.040455" />
+  <B value="32.653" />
+  <C value="-2.5051" />
+  <D value="-0.00081582" />
+  <E value="-0.0000005747" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="628.49" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15629" />
+  <B value="759.85" />
+  <C value="-0.40811" />
+  <D value="0.000080721" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-1.756835" />
+  <B value="-1150" />
+  <C value="-6.9" />
+  <Tmin units="K"  value="271.3722" />
+  <Tmax units="K"  value="441.3722" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.164" />
+  <B value="3777.4" />
+  <C value="-58.088" />
+  <Tmin units="K"  value="393.15" />
+  <Tmax units="K"  value="581.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2286" />
+  <B value="-0.0093756" />
+  <Tmin units="K"  value="205.25" />
+  <Tmax units="K"  value="522.53" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501549" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.876896E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.3111" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641258" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.860761" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15749" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.612" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.000849" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15749" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  <group id="3"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="14"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="13"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-87-6" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="525" />
+<CompoundID name="Name"  value="O-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="668" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.502" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.573" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="241.91" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="241.929" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.04119" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3879" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.398E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.96803E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0911199" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.89535E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.41084E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="434800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.67778E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5596E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6823" />
+  <B value="-0.0039819" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.77" />
+  <Tmax units="K"  value="241.93" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52086" />
+  <B value="0.25389" />
+  <C value="668" />
+  <D value="0.28666" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="136.1844" />
+  <B value="-10760.78" />
+  <C value="-16.88233" />
+  <D value="0.0000109939" />
+  <E value="2" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="668" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.4827E+07" />
+  <B value="-1.9073" />
+  <C value="6.1295" />
+  <D value="-6.3772" />
+  <E value="2.4857" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7349.5" />
+  <B value="982.4" />
+  <C value="-2.0447" />
+  <D value="0.0056221" />
+  <E value="-0.0000068735" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="241.9" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="13731" />
+  <B value="7.9227" />
+  <C value="11.237" />
+  <D value="0.004718" />
+  <E value="-0.0000037106" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122330" />
+  <B value="-723.39" />
+  <C value="13.531" />
+  <D value="-0.00028953" />
+  <E value="7.2562E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32238" />
+  <B value="-437.38" />
+  <C value="-102.19" />
+  <D value="33649" />
+  <E value="-188440" />
+  <Tmin units="K"  value="334" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.971" />
+  <B value="1608.7" />
+  <C value="0.32395" />
+  <D value="-5.0533E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8451E-08" />
+  <B value="0.84013" />
+  <C value="-72.915" />
+  <D value="24855" />
+  <Tmin units="K"  value="456.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.047218" />
+  <B value="-11.073" />
+  <C value="-1.4189" />
+  <D value="-0.00077787" />
+  <E value="-7.5252E-07" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000087851" />
+  <B value="1.0397" />
+  <C value="505.4" />
+  <D value="47466" />
+  <Tmin units="K"  value="456.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.093807" />
+  <B value="-27.232" />
+  <C value="-1.5935" />
+  <D value="-0.0015645" />
+  <E value="6.8395E-07" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="645.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="1394.1" />
+  <B value="727.89" />
+  <C value="-0.38743" />
+  <D value="0.000075095" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.616" />
+  <B value="3368.2" />
+  <C value="-86.041" />
+  <Tmin units="K"  value="405.21" />
+  <Tmax units="K"  value="600.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6125" />
+  <B value="-0.013599" />
+  <Tmin units="K"  value="241.93" />
+  <Tmax units="K"  value="456.61" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501609" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.467551E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.6596" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0631774" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.884138" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3879" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15328" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.011193" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3879" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15328" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="135-01-3" />
+<Smiles name="SMILES"  value="c1(CC)c(CC)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="526" />
+<CompoundID name="Name"  value="M-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="663" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.488" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="454.252" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.23" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.259" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000664991" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156083" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.354019" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.742E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0911199" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.18E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.367E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.097E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.07091" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5546E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9123" />
+  <B value="-0.0052595" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.7" />
+  <Tmax units="K"  value="189.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.52578" />
+  <B value="0.25663" />
+  <C value="663" />
+  <D value="0.2955" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="153.5552" />
+  <B value="-11090.88" />
+  <C value="-19.79091" />
+  <D value="0.000016846" />
+  <E value="2" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="663" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.460804E+07" />
+  <B value="0.433681" />
+  <C value="-0.0244308" />
+  <D value="0.0154888" />
+  <E value="-0.0245419" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="663" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-15019" />
+  <B value="20.098" />
+  <C value="11.35" />
+  <D value="0.0044704" />
+  <E value="-0.0000034473" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115660" />
+  <B value="-734.22" />
+  <C value="13.598" />
+  <D value="-0.00034186" />
+  <E value="8.9326E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31772" />
+  <B value="-425.84" />
+  <C value="-99.203" />
+  <D value="-21091" />
+  <E value="370.32" />
+  <Tmin units="K"  value="331.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.504" />
+  <B value="1313.6" />
+  <C value="0.03353" />
+  <D value="-9.5074E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000018496" />
+  <B value="0.38185" />
+  <C value="552.33" />
+  <D value="63.517" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.056303" />
+  <B value="5.6194" />
+  <C value="-1.5408" />
+  <D value="-0.00033118" />
+  <E value="-0.0000010873" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.25407" />
+  <B value="-0.039016" />
+  <C value="-216.19" />
+  <D value="1832400" />
+  <Tmin units="K"  value="454.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0080943" />
+  <B value="39.207" />
+  <C value="-3.1114" />
+  <D value="0.00028503" />
+  <E value="-0.0000046024" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="638.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-10213" />
+  <B value="753.93" />
+  <C value="-0.40768" />
+  <D value="0.00008049" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.511" />
+  <B value="3266.1" />
+  <C value="-90.749" />
+  <Tmin units="K"  value="398.51" />
+  <Tmax units="K"  value="588.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.2888" />
+  <B value="-0.01446" />
+  <Tmin units="K"  value="189.26" />
+  <Tmax units="K"  value="454.29" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.501609" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.571874E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="316.2069" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.255" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0633445" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.868204" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.354019" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.01075" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.354019" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156083" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-93-5" />
+<Smiles name="SMILES"  value="c1(CC)cc(CC)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="527" />
+<CompoundID name="Name"  value="P-diethylbenzene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H4)CH2CH3" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="657.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2803000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4805" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="230.325" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.21291" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.2182" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15645" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.403" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.58E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.23E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.385E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="433100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1492" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5553E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6072" />
+  <B value="-0.0041601" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="92.13" />
+  <Tmax units="K"  value="230.33" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50239" />
+  <B value="0.25108" />
+  <C value="657.9" />
+  <D value="0.28806" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.74" />
+  <B value="-9636.7" />
+  <C value="-12.656" />
+  <D value="0.000006664" />
+  <E value="2" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.468714E+07" />
+  <B value="-1.551219" />
+  <C value="6.621841" />
+  <D value="-8.199596" />
+  <E value="3.486311" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7197.6" />
+  <B value="988.33" />
+  <C value="-2.1237" />
+  <D value="0.0060518" />
+  <E value="-0.0000076904" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="230.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42717" />
+  <B value="-14.138" />
+  <C value="11.106" />
+  <D value="0.0050234" />
+  <E value="-0.0000039715" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="117030" />
+  <B value="-755.24" />
+  <C value="13.637" />
+  <D value="-0.00037709" />
+  <E value="9.9721E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33339" />
+  <B value="-427.85" />
+  <C value="-102.98" />
+  <D value="-24864" />
+  <E value="-4016.1" />
+  <Tmin units="K"  value="328.95" />
+  <Tmax units="K"  value="1809" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.766" />
+  <B value="1322.3" />
+  <C value="0.075076" />
+  <D value="-1.4518E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2136E-07" />
+  <B value="0.49617" />
+  <C value="343.97" />
+  <D value="-290.07" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.054323" />
+  <B value="-5.9143" />
+  <C value="-1.4413" />
+  <D value="-0.00065059" />
+  <E value="-8.3255E-07" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000023956" />
+  <B value="1.1969" />
+  <C value="213.51" />
+  <D value="48127" />
+  <Tmin units="K"  value="456.94" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.059365" />
+  <B value="-49.68" />
+  <C value="-1.6376" />
+  <D value="-0.0024385" />
+  <E value="0.000001123" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="657.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-2984.9" />
+  <B value="626.67" />
+  <C value="0.03675" />
+  <D value="-0.00047692" />
+  <E value="2.3139E-07" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.159" />
+  <B value="3770.1" />
+  <C value="-65.556" />
+  <Tmin units="K"  value="395.19" />
+  <Tmax units="K"  value="590.39" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1726" />
+  <B value="-0.012096" />
+  <Tmin units="K"  value="230.32" />
+  <Tmax units="K"  value="456.94" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.826599E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="279.7577" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.54175" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0635175" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.866273" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.403" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15645" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.006384" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.9778" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.403" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15645" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="7"  value="4" />
+  <group id="2"  value="2" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="13"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="9"  value="4" />
+  <group id="12"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-05-5" />
+<Smiles name="SMILES"  value="c1(CC)ccc(CC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="530" />
+<CompoundID name="Name"  value="1,2,3,4-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="690" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="478.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="266.9" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="266.9" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.9878" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149073" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.417172" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.402E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18860" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.66E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.305E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.324E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="416500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.123E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1163" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5376E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8081" />
+  <B value="-0.0041252" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="106.76" />
+  <Tmax units="K"  value="266.9" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62671" />
+  <B value="0.276" />
+  <C value="690" />
+  <D value="0.30501" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.3938" />
+  <B value="-9866.6" />
+  <C value="-11.74655" />
+  <D value="5.432648E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="693" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.827737E+07" />
+  <B value="0.20659" />
+  <C value="0.354625" />
+  <D value="0.156354" />
+  <E value="-0.400825" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="66629" />
+  <B value="-379.76" />
+  <C value="9.332" />
+  <D value="-0.039854" />
+  <E value="0.000072087" />
+  <Tmin units="K"  value="91" />
+  <Tmax units="K"  value="223.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="191090" />
+  <B value="-1527.7" />
+  <C value="20.231" />
+  <D value="-0.019977" />
+  <E value="0.000019333" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="519.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108680" />
+  <B value="-536.06" />
+  <C value="13.006" />
+  <D value="0.00026578" />
+  <E value="-1.0197E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31708" />
+  <B value="-424.09" />
+  <C value="-116.37" />
+  <D value="-38824" />
+  <E value="-120.02" />
+  <Tmin units="K"  value="346.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.555" />
+  <B value="1810.8" />
+  <C value="0.0032112" />
+  <D value="-3.0199E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0975E-08" />
+  <B value="0.80432" />
+  <C value="144.14" />
+  <D value="-8326.5" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.046705" />
+  <B value="-31.572" />
+  <C value="-1.2356" />
+  <D value="-0.0012463" />
+  <E value="-2.6103E-07" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001001" />
+  <B value="1.0331" />
+  <C value="653.92" />
+  <D value="21466" />
+  <Tmin units="K"  value="478.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097807" />
+  <B value="201.26" />
+  <C value="-4.2769" />
+  <D value="0.0037572" />
+  <E value="-0.0000068682" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="670.57" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="14350" />
+  <B value="683.41" />
+  <C value="-0.34548" />
+  <D value="0.000063808" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.207" />
+  <B value="3942.9" />
+  <C value="-70.977" />
+  <Tmin units="K"  value="419.85" />
+  <Tmax units="K"  value="620" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3745" />
+  <B value="-0.013807" />
+  <Tmin units="K"  value="266.9" />
+  <Tmax units="K"  value="478.19" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.50538E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="333.7538" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.45969" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648309" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.908473" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.417172" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149073" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.005169" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.84333" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.417172" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18860" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149073" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="488-23-3" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)c(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="531" />
+<CompoundID name="Name"  value="1,2,3,5-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="679" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.436" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="471.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="249.46" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="249.46" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.886139" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.151385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.459061" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.516E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18330" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.054E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.231E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.072E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.532E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.728" />
+  <B value="-0.0038845" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="99.78" />
+  <Tmax units="K"  value="249.46" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5261" />
+  <B value="0.25428" />
+  <C value="679" />
+  <D value="0.28565" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.28" />
+  <B value="-9936.6" />
+  <C value="-12.519" />
+  <D value="0.0000062754" />
+  <E value="2" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6549E+07" />
+  <B value="0.31372" />
+  <C value="0.25924" />
+  <D value="-0.3264" />
+  <E value="0.12301" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="88.391" />
+  <B value="1331.3" />
+  <C value="-5.2242" />
+  <D value="0.018095" />
+  <E value="-0.000025164" />
+  <Tmin units="K"  value="92.4" />
+  <Tmax units="K"  value="249.46" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180380" />
+  <B value="-63.604" />
+  <C value="9.2496" />
+  <D value="0.0072443" />
+  <E value="-0.0000031051" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109230" />
+  <B value="-579.21" />
+  <C value="13.116" />
+  <D value="0.00014705" />
+  <E value="-5.951E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3267" />
+  <B value="-429.83" />
+  <C value="-108.17" />
+  <D value="-65519" />
+  <E value="104920" />
+  <Tmin units="K"  value="339.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.031" />
+  <B value="1747.6" />
+  <C value="0.263" />
+  <D value="-3.7653E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7114E-07" />
+  <B value="0.50662" />
+  <C value="335.88" />
+  <D value="-402.07" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.064932" />
+  <B value="-8.9077" />
+  <C value="-1.3593" />
+  <D value="-0.00066705" />
+  <E value="-6.8372E-07" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000082384" />
+  <B value="1.0555" />
+  <C value="595.15" />
+  <D value="34335" />
+  <Tmin units="K"  value="471.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0077784" />
+  <B value="249.63" />
+  <C value="-4.8091" />
+  <D value="0.0051648" />
+  <E value="-0.0000085507" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="679" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="15661" />
+  <B value="655.05" />
+  <C value="-0.30287" />
+  <D value="0.000047023" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.323" />
+  <B value="3961.7" />
+  <C value="-66.892" />
+  <Tmin units="K"  value="407.71" />
+  <Tmax units="K"  value="610" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4676" />
+  <B value="-0.013966" />
+  <Tmin units="K"  value="249.46" />
+  <Tmax units="K"  value="471.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.327233E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.2893" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649311" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.894741" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.46" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.151385" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.019944" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.426" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18330" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.151385" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="527-53-7" />
+<Smiles name="SMILES"  value="c1(C)c(C)c(C)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="532" />
+<CompoundID name="Name"  value="1,2,4,5-tetramethylbenzene" />
+<StructureFormula name="Structure"  value="(C6H2)(CH3)4" />
+<Family name="Family"  value="10" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="676" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="470" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="352.384" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="352.384" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1784.79" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.221" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15228" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.423" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.502E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09296" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.527E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.177E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="418500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.1E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10541" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.507E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.6888" />
+  <B value="-1.9613E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65779" />
+  <B value="0.28461" />
+  <C value="677.16" />
+  <D value="0.31429" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="677.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.028" />
+  <B value="-9355.7" />
+  <C value="-10.676" />
+  <D value="0.0000049509" />
+  <E value="2" />
+  <Tmin units="K"  value="346.75" />
+  <Tmax units="K"  value="676" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.607707E+08" />
+  <B value="4.915197" />
+  <C value="-10.37671" />
+  <D value="9.303886" />
+  <E value="-3.220797" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="658.97" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1997.1" />
+  <B value="1178.3" />
+  <C value="-3.2722" />
+  <D value="0.0077475" />
+  <E value="-0.0000066937" />
+  <Tmin units="K"  value="92.2" />
+  <Tmax units="K"  value="352.38" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="139940" />
+  <B value="1169.1" />
+  <C value="1.2977" />
+  <D value="0.02859" />
+  <E value="-0.000023286" />
+  <Tmin units="K"  value="352.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="110940" />
+  <B value="-562.53" />
+  <C value="13.019" />
+  <D value="0.00027207" />
+  <E value="-1.0669E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33617" />
+  <B value="-444.13" />
+  <C value="-103.01" />
+  <D value="-89798" />
+  <E value="177990" />
+  <Tmin units="K"  value="337.58" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.4175" />
+  <B value="1452.8" />
+  <C value="-0.39341" />
+  <D value="2.9469E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="469.99" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.2635E-07" />
+  <B value="0.49106" />
+  <C value="324.48" />
+  <D value="3435.1" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.023024" />
+  <B value="-350.01" />
+  <C value="0.1946" />
+  <D value="-0.0044419" />
+  <E value="6.7822E-07" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="613.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000066062" />
+  <B value="1.0649" />
+  <C value="306.1" />
+  <D value="93850" />
+  <Tmin units="K"  value="469.99" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.022308" />
+  <B value="-40.303" />
+  <C value="-2.2467" />
+  <D value="-0.001602" />
+  <E value="-9.4735E-07" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="658.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="27870" />
+  <B value="560.2" />
+  <C value="0.043817" />
+  <D value="-0.000406" />
+  <E value="0.0000001904" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.278" />
+  <B value="3898.8" />
+  <C value="-70.102" />
+  <Tmin units="K"  value="412.75" />
+  <Tmax units="K"  value="607.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2617" />
+  <B value="-0.0095155" />
+  <Tmin units="K"  value="352.38" />
+  <Tmax units="K"  value="469.99" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.512922" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.75928E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="295.9222" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0637472" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.89203" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.423" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15228" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1278" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.672" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.014791" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.423" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15228" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="7"  value="2" />
+  <group id="8"  value="4" />
+  <group id="1"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="95-93-2" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(C)c(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="576" />
+<CompoundID name="Name"  value="2-ethyl-m-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="670" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2960000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.446" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="463.19" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="257" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.89" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.81505" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.151424" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.405" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.415E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18140" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.623E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.379E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="421000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.471E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2603" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.548E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6854" />
+  <B value="-0.0037546" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="102.76" />
+  <Tmax units="K"  value="256.89" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.55372" />
+  <B value="0.25979" />
+  <C value="670" />
+  <D value="0.29804" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="101.54" />
+  <B value="-9425" />
+  <C value="-11.552" />
+  <D value="0.0000057989" />
+  <E value="2" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="671" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.2672E+07" />
+  <B value="1.1027" />
+  <C value="-0.68529" />
+  <D value="-0.33367" />
+  <E value="0.36103" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23735" />
+  <B value="400.93" />
+  <C value="5.6" />
+  <D value="-0.033991" />
+  <E value="0.000064505" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="256.89" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="77646" />
+  <B value="-101.26" />
+  <C value="11.392" />
+  <D value="0.0045401" />
+  <E value="-0.0000038677" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80902" />
+  <B value="-471.57" />
+  <C value="13.059" />
+  <D value="0.00022749" />
+  <E value="-9.0171E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.35368" />
+  <B value="-470.21" />
+  <C value="-86.839" />
+  <D value="-88080" />
+  <E value="193440" />
+  <Tmin units="K"  value="335" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.587" />
+  <B value="1737.4" />
+  <C value="0.54173" />
+  <D value="-0.0000007502" />
+  <E value="2" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000044354" />
+  <B value="0.29008" />
+  <C value="895.67" />
+  <D value="100.88" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.038284" />
+  <B value="-32.06" />
+  <C value="-1.2755" />
+  <D value="-0.0012699" />
+  <E value="-0.0000004068" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000097738" />
+  <B value="1.031" />
+  <C value="536.66" />
+  <D value="42862" />
+  <Tmin units="K"  value="463.19" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0078769" />
+  <B value="272" />
+  <C value="-4.9636" />
+  <D value="0.0055943" />
+  <E value="-0.0000090797" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="649.2" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18638" />
+  <B value="815.63" />
+  <C value="-0.4908" />
+  <D value="0.00011128" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.219" />
+  <B value="3842.2" />
+  <C value="-66.846" />
+  <Tmin units="K"  value="406.45" />
+  <Tmax units="K"  value="600" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7285" />
+  <B value="-0.013322" />
+  <Tmin units="K"  value="256.89" />
+  <Tmax units="K"  value="463.19" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.145862E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="347.4512" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.0844" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0649154" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.894889" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.405" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.151424" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.8602" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.405" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.151424" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="2870-04-4" />
+<Smiles name="SMILES"  value="c1(C)c(CC)c(C)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="577" />
+<CompoundID name="Name"  value="2-ethyl-p-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="680" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.461" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="460.09" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="219" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="219.52" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0748611" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153715" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.36" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.579E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17610" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.218E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.273E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.519E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.543E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.829" />
+  <B value="-0.0044696" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87.81" />
+  <Tmax units="K"  value="219.52" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.15639" />
+  <B value="0.13957" />
+  <C value="680" />
+  <D value="0.19566" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="639.66" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="51.35796" />
+  <B value="-7093.865" />
+  <C value="-3.98884" />
+  <D value="0.0000002143" />
+  <E value="2" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="680" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.269938E+07" />
+  <B value="2.580922" />
+  <C value="-6.4761" />
+  <D value="7.125795" />
+  <E value="-2.740318" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="663" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7232.9" />
+  <B value="1019.6" />
+  <C value="-2.26" />
+  <D value="0.006668" />
+  <E value="-0.0000087976" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="219.52" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115180" />
+  <B value="-69.179" />
+  <C value="10.574" />
+  <D value="0.0065199" />
+  <E value="-0.0000055164" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34598" />
+  <B value="-446.91" />
+  <C value="-99.564" />
+  <D value="-42376" />
+  <E value="51770" />
+  <Tmin units="K"  value="331.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.139" />
+  <B value="1509" />
+  <C value="0.050995" />
+  <D value="-2.3531E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000010483" />
+  <B value="0.4491" />
+  <C value="412.22" />
+  <D value="-1561.4" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.080449" />
+  <B value="4.7926" />
+  <C value="-1.4191" />
+  <D value="-0.00032019" />
+  <E value="-9.3368E-07" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000085732" />
+  <B value="1.0445" />
+  <C value="516.18" />
+  <D value="46622" />
+  <Tmin units="K"  value="459.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025429" />
+  <B value="29.001" />
+  <C value="-2.5612" />
+  <D value="-0.001025" />
+  <E value="-0.0000010416" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="663" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3588.7" />
+  <C value="-79.823" />
+  <Tmin units="K"  value="413.35" />
+  <Tmax units="K"  value="600" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3451" />
+  <B value="-0.014201" />
+  <Tmin units="K"  value="219.52" />
+  <Tmax units="K"  value="459.98" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.535834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.7879" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0654917" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.881517" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.36" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153715" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.36" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153715" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1758-88-9" />
+<Smiles name="SMILES"  value="c1(C)c(CC)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="578" />
+<CompoundID name="Name"  value="4-ethyl-m-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="665" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2850000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.456" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="461.59" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="210" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="210.27" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0181496" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.153864" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.409" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.543E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17650" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.08E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.286E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.293E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.544E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8871" />
+  <B value="-0.0047021" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="84.11" />
+  <Tmax units="K"  value="210.27" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53184" />
+  <B value="0.25635" />
+  <C value="665" />
+  <D value="0.29535" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.6" />
+  <B value="-9849.7" />
+  <C value="-12.73" />
+  <D value="0.0000063582" />
+  <E value="2" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="665" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.586476E+07" />
+  <B value="0.958711" />
+  <C value="-1.952194" />
+  <D value="2.240006" />
+  <E value="-0.865941" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="665" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95699" />
+  <B value="-84.431" />
+  <C value="11.066" />
+  <D value="0.0051032" />
+  <E value="-0.0000041785" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.33624" />
+  <B value="-432.23" />
+  <C value="-105.71" />
+  <D value="-27857" />
+  <E value="4073.5" />
+  <Tmin units="K"  value="332.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.665" />
+  <B value="1419.5" />
+  <C value="0.18354" />
+  <D value="-0.0000003451" />
+  <E value="2" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000037216" />
+  <B value="0.29591" />
+  <C value="752.65" />
+  <D value="-7.7443" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081171" />
+  <B value="5.0587" />
+  <C value="-1.4195" />
+  <D value="-0.00031748" />
+  <E value="-9.1756E-07" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083547" />
+  <B value="1.0482" />
+  <C value="520.64" />
+  <D value="45100" />
+  <Tmin units="K"  value="461.59" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015347" />
+  <B value="66.34" />
+  <C value="-3.091" />
+  <D value="0.00031864" />
+  <E value="-0.0000032686" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="641.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.128" />
+  <B value="3744.2" />
+  <C value="-71.727" />
+  <Tmin units="K"  value="400" />
+  <Tmax units="K"  value="593.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5864" />
+  <B value="-0.013635" />
+  <Tmin units="K"  value="210.27" />
+  <Tmax units="K"  value="461.59" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.544402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.6126" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648944" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880761" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.409" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.153864" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.409" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17650" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.153864" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="874-41-9" />
+<Smiles name="SMILES"  value="c1(CC)c(C)cc(C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="579" />
+<CompoundID name="Name"  value="4-ethyl-o-xylene" />
+<StructureFormula name="Structure"  value="CH3CH2(C6H3)(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="666" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2890000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.452" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="462.93" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="206" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="206.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00343448" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154172" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.42" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.552E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17990" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0920399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.161E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.209E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.274E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.205E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.11" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.542E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.8776" />
+  <B value="-0.0047766" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="82.49" />
+  <Tmax units="K"  value="206.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54664" />
+  <B value="0.26088" />
+  <C value="666" />
+  <D value="0.29186" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.694" />
+  <B value="-9142.9" />
+  <C value="-10.852" />
+  <D value="0.0000055519" />
+  <E value="2" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.3714E+07" />
+  <B value="-2.7554" />
+  <C value="9.4578" />
+  <D value="-11.023" />
+  <E value="4.6307" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="666" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89767" />
+  <B value="-77.889" />
+  <C value="11.113" />
+  <D value="0.0049399" />
+  <E value="-0.0000039958" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90693" />
+  <B value="-533.27" />
+  <C value="13.139" />
+  <D value="0.00014143" />
+  <E value="-6.0863E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37792" />
+  <B value="-498.77" />
+  <C value="-87.527" />
+  <D value="-88381" />
+  <E value="187860" />
+  <Tmin units="K"  value="333" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.1159" />
+  <B value="1410.6" />
+  <C value="-0.43411" />
+  <D value="7.8135E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.8567E-07" />
+  <B value="0.52279" />
+  <C value="312.52" />
+  <D value="-1851" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061613" />
+  <B value="4.0176" />
+  <C value="-1.4936" />
+  <D value="-0.00037218" />
+  <E value="-9.9721E-07" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083697" />
+  <B value="1.0475" />
+  <C value="520.73" />
+  <D value="45665" />
+  <Tmin units="K"  value="462.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021075" />
+  <B value="39.933" />
+  <C value="-2.7814" />
+  <D value="-0.00042216" />
+  <E value="-0.0000020214" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="642.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20399" />
+  <B value="799.64" />
+  <C value="-0.46931" />
+  <D value="0.00010452" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.317" />
+  <B value="3913.1" />
+  <C value="-63.321" />
+  <Tmin units="K"  value="400.23" />
+  <Tmax units="K"  value="594.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0327" />
+  <B value="-0.015022" />
+  <Tmin units="K"  value="206.22" />
+  <Tmax units="K"  value="462.93" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.507256" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.415788E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="313.1763" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648412" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.878797" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.42" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154172" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0672" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.644" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17990" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154172" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="7"  value="3" />
+  <group id="8"  value="3" />
+  <group id="2"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="12"  value="2" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="9"  value="3" />
+  <group id="11"  value="2" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="934-80-5" />
+<Smiles name="SMILES"  value="c1(C)c(C)cc(CC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="586" />
+<CompoundID name="Name"  value="1-methyl-3-n-propylbenzene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="656" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="455.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.57" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190.57" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000721452" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156623" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412785" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.794E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-31" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.414E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.352E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="436800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.06E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5516E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.0174" />
+  <B value="-0.0059147" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.23" />
+  <Tmax units="K"  value="190.57" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18222" />
+  <B value="0.15152" />
+  <C value="656" />
+  <D value="0.20178" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.4588" />
+  <B value="-9508.773" />
+  <C value="-12.48918" />
+  <D value="6.776919E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.194565E+07" />
+  <B value="0.0524158" />
+  <C value="1.088831" />
+  <D value="-1.22236" />
+  <E value="0.439479" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="656" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156110" />
+  <B value="-38.093" />
+  <C value="10.159" />
+  <D value="0.0050313" />
+  <E value="-0.0000015247" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="490.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97127" />
+  <B value="-599.11" />
+  <C value="13.273" />
+  <D value="0.000011665" />
+  <E value="-1.9003E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34716" />
+  <B value="-445.08" />
+  <C value="-93.628" />
+  <D value="-50591" />
+  <E value="81753" />
+  <Tmin units="K"  value="327" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.301" />
+  <B value="1601.4" />
+  <C value="0.91018" />
+  <D value="-0.0000014707" />
+  <E value="2" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.3681E-08" />
+  <B value="0.81524" />
+  <C value="130.94" />
+  <D value="-9552" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.074198" />
+  <B value="4.023" />
+  <C value="-1.4364" />
+  <D value="-0.00042252" />
+  <E value="-0.0000008562" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="454.95" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083513" />
+  <B value="1.0517" />
+  <C value="570.8" />
+  <D value="33790" />
+  <Tmin units="K"  value="454.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0086511" />
+  <B value="61.14" />
+  <C value="-3.1888" />
+  <D value="0.0004569" />
+  <E value="-0.0000046729" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="654" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26053" />
+  <B value="805.01" />
+  <C value="-0.46803" />
+  <D value="0.00010355" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.2" />
+  <B value="3779.7" />
+  <C value="-64.304" />
+  <Tmin units="K"  value="395" />
+  <Tmax units="K"  value="590" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.1694" />
+  <B value="-0.011417" />
+  <Tmin units="K"  value="190.57" />
+  <Tmax units="K"  value="603.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.75928E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.1671" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0643271" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865762" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412785" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156623" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412785" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17510" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156623" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1074-43-7" />
+<Smiles name="SMILES"  value="c1(C)cc(CCC)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="587" />
+<CompoundID name="Name"  value="1-methyl-4-n-propylbenzene" />
+<StructureFormula name="Structure"  value="CH3(C6H4)CH2CH2CH3" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="658" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.482" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="456.53" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="209.455" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="209.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0171898" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="134.218" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.157097" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.413441" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.599E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09112" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.154E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.314E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.382E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="430400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.151E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.5528E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.8857" />
+  <B value="-0.0053004" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.82" />
+  <Tmax units="K"  value="209.55" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48219" />
+  <B value="0.24259" />
+  <C value="658" />
+  <D value="0.32531" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="632.5" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="103.2332" />
+  <B value="-9321.423" />
+  <C value="-11.85346" />
+  <D value="6.228128E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9632E+07" />
+  <B value="-0.13089" />
+  <C value="1.5769" />
+  <D value="-1.8325" />
+  <E value="0.74608" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="214740" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="658" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128960" />
+  <B value="-102.23" />
+  <C value="11.269" />
+  <D value="0.0022913" />
+  <E value="5.0742E-07" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="492" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97127" />
+  <B value="-599.11" />
+  <C value="13.273" />
+  <D value="0.000011665" />
+  <E value="-1.9003E-08" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34983" />
+  <B value="-450.15" />
+  <C value="-93.925" />
+  <D value="-54544" />
+  <E value="91978" />
+  <Tmin units="K"  value="328" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-65.00531" />
+  <B value="3273.06" />
+  <C value="8.413079" />
+  <D value="-0.0000101347" />
+  <E value="2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8653E-08" />
+  <B value="0.80621" />
+  <C value="137.95" />
+  <D value="-9253.2" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.081049" />
+  <B value="3.2759" />
+  <C value="-1.4026" />
+  <D value="-0.00043634" />
+  <E value="-7.9035E-07" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="456.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000083347" />
+  <B value="1.0517" />
+  <C value="573.97" />
+  <D value="33136" />
+  <Tmin units="K"  value="456.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.19472" />
+  <B value="-2.8463" />
+  <C value="-1.2726" />
+  <D value="-0.000855" />
+  <E value="4.6239E-07" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="656" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-26053" />
+  <B value="805.01" />
+  <C value="-0.46803" />
+  <D value="0.00010355" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.139" />
+  <B value="3767" />
+  <C value="-64.622" />
+  <Tmin units="K"  value="397.53" />
+  <Tmax units="K"  value="590" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.52" />
+  <B value="-0.010859" />
+  <Tmin units="K"  value="209.55" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.50161" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.79684E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="283.8998" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="173.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0648127" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863678" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.413441" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.157097" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0066" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.616" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.413441" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.157097" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="13"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1074-55-1" />
+<Smiles name="SMILES"  value="c1(C)ccc(CCC)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="544" />
+<CompoundID name="Name"  value="P-diisopropylbenzene" />
+<StructureFormula name="Structure"  value="(CH3)2CH(C6H4)CH(CH3)2" />
+<Family name="Family"  value="17" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="675" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.584" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="483.52" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="256.08" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="256.08" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.697953" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="162.271" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.190236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.476415" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.178E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16930" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.101" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.404E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.76E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.47804E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="488000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3262" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.77E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.9021" />
+  <B value="-0.0029994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="102.43" />
+  <Tmax units="K"  value="256.08" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77801" />
+  <B value="0.34547" />
+  <C value="675" />
+  <D value="0.38736" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.6259" />
+  <B value="-10711.76" />
+  <C value="-14.56272" />
+  <D value="8.944308E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="689" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.572101E+07" />
+  <B value="2.166143" />
+  <C value="-4.616074" />
+  <D value="4.777254" />
+  <E value="-1.852374" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34130" />
+  <B value="321.92" />
+  <C value="9.2079" />
+  <D value="-0.053989" />
+  <E value="0.00010157" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="256.08" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-70570" />
+  <B value="94.476" />
+  <C value="11.349" />
+  <D value="0.0048258" />
+  <E value="-0.0000034771" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100830" />
+  <B value="-531.56" />
+  <C value="13.456" />
+  <D value="0.000043333" />
+  <E value="-2.4118E-08" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34296" />
+  <B value="-577.3" />
+  <C value="-147.03" />
+  <D value="-140880" />
+  <E value="339020" />
+  <Tmin units="K"  value="344.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9912" />
+  <B value="1148.7" />
+  <C value="-0.35833" />
+  <D value="4.6037E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0354E-07" />
+  <B value="0.48062" />
+  <C value="391.1" />
+  <D value="176.97" />
+  <Tmin units="K"  value="483.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.043466" />
+  <B value="-14.777" />
+  <C value="-1.4776" />
+  <D value="-0.00080068" />
+  <E value="-0.0000006904" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.31596" />
+  <B value="-0.074042" />
+  <C value="-318.59" />
+  <D value="1928600" />
+  <Tmin units="K"  value="483.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01271" />
+  <B value="60.745" />
+  <C value="-3.2229" />
+  <D value="0.00049535" />
+  <E value="-0.0000035281" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="666.21" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-44517" />
+  <B value="1071.8" />
+  <C value="-0.66372" />
+  <D value="0.00015645" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.599" />
+  <B value="3490" />
+  <C value="-98.353" />
+  <Tmin units="K"  value="407.05" />
+  <Tmax units="K"  value="597.86" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.216" />
+  <B value="-0.0097312" />
+  <Tmin units="K"  value="256.08" />
+  <Tmax units="K"  value="483.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563273" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.001313E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="326.4983" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="214.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.118" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0776962" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.861206" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.390023" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.190236" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.3538" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.688" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.022869" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.0168" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.390023" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.190236" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="7"  value="4" />
+  <group id="8"  value="2" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-18-5" />
+<Smiles name="SMILES"  value="c1(C(C)C)ccc(C(C)C)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1054" />
+<CompoundID name="Name"  value="Methyl isobutyl ketone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="574.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3270000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.3406" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="389.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="189.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="189.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0698742" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12581" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.352" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.828E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06972" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.88E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.351E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="407000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9710000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.393" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.49E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.236" />
+  <B value="-0.0065382" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.66" />
+  <Tmax units="K"  value="189.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.70438" />
+  <B value="0.26215" />
+  <C value="574.6" />
+  <D value="0.2872" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="151.9969" />
+  <B value="-9958.63" />
+  <C value="-19.68914" />
+  <D value="0.0000167819" />
+  <E value="2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.7929E+07" />
+  <B value="-4.5647" />
+  <C value="14.372" />
+  <D value="-16.097" />
+  <E value="6.5387" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2120" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="189.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93433" />
+  <B value="-8.9197" />
+  <C value="10.885" />
+  <D value="0.0029916" />
+  <E value="-6.6769E-07" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="97540" />
+  <B value="-634.68" />
+  <C value="12.939" />
+  <D value="0.000018497" />
+  <E value="-1.9665E-08" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26403" />
+  <B value="-313.96" />
+  <C value="-40.054" />
+  <D value="-41014" />
+  <E value="79808" />
+  <Tmin units="K"  value="287.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5441" />
+  <B value="1138.8" />
+  <C value="-0.34128" />
+  <D value="0.0000016581" />
+  <E value="2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="389.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9033E-07" />
+  <B value="0.63516" />
+  <C value="190.41" />
+  <D value="3013.2" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.05085" />
+  <B value="-96.32" />
+  <C value="-0.95078" />
+  <D value="-0.0031661" />
+  <E value="-0.0000020547" />
+  <Tmin units="K"  value="171.42" />
+  <Tmax units="K"  value="451.42" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-874190" />
+  <B value="0.020464" />
+  <C value="1.7911E+07" />
+  <D value="-8.1274E+12" />
+  <Tmin units="K"  value="276.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0053825" />
+  <B value="238.91" />
+  <C value="-5.4341" />
+  <D value="0.0080583" />
+  <E value="-0.000014754" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="574.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10053" />
+  <B value="541.95" />
+  <C value="-0.29513" />
+  <D value="0.000061306" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.464" />
+  <B value="3468.2" />
+  <C value="-40.674" />
+  <Tmin units="K"  value="348.15" />
+  <Tmax units="K"  value="513.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8866" />
+  <B value="-0.015149" />
+  <Tmin units="K"  value="189.15" />
+  <Tmax units="K"  value="389.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375279" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.685059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="277.9347" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-3.0405" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492845" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.805767" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.352" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12581" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5959" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="6.4011" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.352" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12581" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-10-1" />
+<Smiles name="SMILES"  value="CC(C)CC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1057" />
+<CompoundID name="Name"  value="3-heptanone" />
+<StructureFormula name="Structure"  value="CH3(CH2)3COC2H5" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3010000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="420.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.29921" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140257" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.539E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.01E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.196E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.81E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.13085" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.098E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.6961" />
+  <B value="-0.0051762" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="93.66" />
+  <Tmax units="K"  value="234.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65544" />
+  <B value="0.26958" />
+  <C value="605" />
+  <D value="0.29059" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.93996" />
+  <B value="-7156.968" />
+  <C value="-5.201278" />
+  <D value="1.288938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="606.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.726896E+07" />
+  <B value="0.830475" />
+  <C value="-1.256385" />
+  <D value="1.592723" />
+  <E value="-0.756362" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2320" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="215140" />
+  <B value="447.78" />
+  <C value="3.9106" />
+  <D value="0.020539" />
+  <E value="-0.000013511" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="122140" />
+  <B value="-668.77" />
+  <C value="13.117" />
+  <D value="-0.0000064986" />
+  <E value="-3.4969E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.29056" />
+  <B value="-339.49" />
+  <C value="-76.497" />
+  <D value="-41160" />
+  <E value="60961" />
+  <Tmin units="K"  value="303.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.982" />
+  <B value="1284.2" />
+  <C value="0.095491" />
+  <D value="-8.1894E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="421.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4757E-07" />
+  <B value="0.71999" />
+  <C value="184.44" />
+  <D value="-6805" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.025728" />
+  <B value="-61.893" />
+  <C value="-0.97852" />
+  <D value="-0.0021604" />
+  <E value="1.2683E-07" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1201.8" />
+  <B value="1.0398" />
+  <C value="1.4113E+10" />
+  <D value="-9.6162E+10" />
+  <Tmin units="K"  value="420.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011218" />
+  <B value="48.92" />
+  <C value="-3.2612" />
+  <D value="0.00080836" />
+  <E value="-0.0000049917" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="587" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35513" />
+  <B value="545.55" />
+  <C value="-0.2495" />
+  <D value="0.000035433" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.049" />
+  <B value="3293.7" />
+  <C value="-74.523" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="540" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2585" />
+  <B value="-0.012873" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="421.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.34622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.5799" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.055992" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.823035" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407565" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140257" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407565" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17940" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-35-4" />
+<Smiles name="SMILES"  value="CCC(=O)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1058" />
+<CompoundID name="Name"  value="4-heptanone" />
+<StructureFormula name="Structure"  value="(CH3CH2CH2)2CO" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="595" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="240.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="240.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.95766" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140625" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.471409" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.567E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.01E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.196E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.86E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.18" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.09E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.6566" />
+  <B value="-0.0050159" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="96.26" />
+  <Tmax units="K"  value="240.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78297" />
+  <B value="0.29215" />
+  <C value="595" />
+  <D value="0.33209" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.5579" />
+  <B value="-9310.284" />
+  <C value="-14.85267" />
+  <D value="0.000010781" />
+  <E value="2" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="602" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.630562E+07" />
+  <B value="0.51436" />
+  <C value="0.600897" />
+  <D value="-1.414428" />
+  <E value="0.688564" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2320" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="240.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="209750" />
+  <B value="222.65" />
+  <C value="6.403" />
+  <D value="0.014092" />
+  <E value="-0.0000084677" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="480" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121670" />
+  <B value="-659.01" />
+  <C value="13.093" />
+  <D value="0.000016432" />
+  <E value="-4.1637E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12631" />
+  <B value="-98.502" />
+  <C value="-131.43" />
+  <D value="74661" />
+  <E value="-250200" />
+  <Tmin units="K"  value="287.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.013" />
+  <B value="1989.1" />
+  <C value="2.6786" />
+  <D value="-0.0000019943" />
+  <E value="2" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5516E-07" />
+  <B value="0.71327" />
+  <C value="190.48" />
+  <D value="-6907.5" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.084176" />
+  <B value="-5.3333" />
+  <C value="-1.1753" />
+  <D value="-0.00094427" />
+  <E value="-3.0728E-07" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2007.9" />
+  <B value="1.0403" />
+  <C value="2.325E+10" />
+  <D value="-1.556E+11" />
+  <Tmin units="K"  value="417.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.009316" />
+  <B value="8.2096" />
+  <C value="-3.0266" />
+  <D value="0.00040508" />
+  <E value="-0.0000054492" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="582.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="36724" />
+  <B value="544.28" />
+  <C value="-0.2504" />
+  <D value="0.000036307" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.21128" />
+  <B value="-5950" />
+  <C value="-35.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.277" />
+  <B value="3488.9" />
+  <C value="-59.687" />
+  <Tmin units="K"  value="358.41" />
+  <Tmax units="K"  value="529.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4939" />
+  <B value="-0.012328" />
+  <Tmin units="K"  value="240.65" />
+  <Tmax units="K"  value="417.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.276587E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.8443" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559243" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.821925" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.471409" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140625" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.411976" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17410" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140625" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-19-3" />
+<Smiles name="SMILES"  value="CCCC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1059" />
+<CompoundID name="Name"  value="3-hexanone" />
+<StructureFormula name="Structure"  value="CH3CH2CH2COCH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.256" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="396.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="215" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.22016" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12343" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.38" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.009E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.777E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.253E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="409200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.11E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.04843" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.492E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.108" />
+  <B value="-0.0055955" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="87" />
+  <Tmax units="K"  value="217.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60844" />
+  <B value="0.24303" />
+  <C value="582.83" />
+  <D value="0.26177" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="582.82" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.4591" />
+  <B value="-8520.55" />
+  <C value="-13.01531" />
+  <D value="9.019631E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="582.82" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.134266E+07" />
+  <B value="-0.294625" />
+  <C value="1.94188" />
+  <D value="-1.96318" />
+  <E value="0.653572" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="563.59" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4123.3" />
+  <B value="428.48" />
+  <C value="26.855" />
+  <D value="-0.35338" />
+  <E value="0.0013463" />
+  <Tmin units="K"  value="12.52" />
+  <Tmax units="K"  value="140.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="185400" />
+  <B value="578.77" />
+  <C value="3.0261" />
+  <D value="0.02276" />
+  <E value="-0.000015777" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="108160" />
+  <B value="-675.23" />
+  <C value="12.973" />
+  <D value="-0.000036372" />
+  <E value="-1.5789E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21084" />
+  <B value="-230.63" />
+  <C value="-67.335" />
+  <D value="-10006" />
+  <E value="-4827.2" />
+  <Tmin units="K"  value="291.41" />
+  <Tmax units="K"  value="1863.41" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-3.119" />
+  <B value="957.18" />
+  <C value="-1.3764" />
+  <D value="0.0000033013" />
+  <E value="2" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="396.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7969E-07" />
+  <B value="0.70065" />
+  <C value="200.48" />
+  <D value="-7668.6" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0083801" />
+  <B value="80.808" />
+  <C value="-2.2377" />
+  <D value="0.00083175" />
+  <E value="-0.0000033028" />
+  <Tmin units="K"  value="174.85" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.24291" />
+  <B value="0.11759" />
+  <C value="-2306.6" />
+  <D value="-3681900" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.034741" />
+  <B value="-20.897" />
+  <C value="-2.185" />
+  <D value="-0.0017942" />
+  <E value="-3.1071E-07" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="563.59" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="77799" />
+  <B value="112.29" />
+  <C value="0.72627" />
+  <D value="-0.00099092" />
+  <E value="3.9161E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.27517" />
+  <B value="-7300" />
+  <C value="-43.8" />
+  <Tmin units="K"  value="269.15" />
+  <Tmax units="K"  value="439.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.18" />
+  <B value="3255.7" />
+  <C value="-59.439" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2945" />
+  <B value="-0.013514" />
+  <Tmin units="K"  value="217.5" />
+  <Tmax units="K"  value="396.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.921299E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.901" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.256" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492727" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.819086" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.38" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12343" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.38" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12343" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="589-38-8" />
+<Smiles name="SMILES"  value="CCC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1060" />
+<CompoundID name="Name"  value="2-pentanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561.1" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3690000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.301" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="375.39" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="196.29" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="196.29" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.752347" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10733" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.346" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.618E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.592E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.384E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="378600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.062E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9943" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.88E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.184" />
+  <B value="-0.0073973" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.52" />
+  <Tmax units="K"  value="196.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8193" />
+  <B value="0.25958" />
+  <C value="561.1" />
+  <D value="0.28941" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.01772" />
+  <B value="-7341.876" />
+  <C value="-10.45756" />
+  <D value="7.61086E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.074187E+07" />
+  <B value="1.097819" />
+  <C value="-1.350154" />
+  <D value="0.926065" />
+  <E value="-0.25017" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-21075" />
+  <B value="1836.3" />
+  <C value="-11.412" />
+  <D value="0.033399" />
+  <E value="-0.0000064676" />
+  <Tmin units="K"  value="20.74" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119520" />
+  <B value="155.09" />
+  <C value="9.2758" />
+  <D value="0.0038398" />
+  <E value="0.0000015236" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="86927" />
+  <B value="-727.52" />
+  <C value="12.986" />
+  <D value="-0.00023161" />
+  <E value="6.926E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25359" />
+  <B value="-304.06" />
+  <C value="-23.005" />
+  <D value="-48839" />
+  <E value="104690" />
+  <Tmin units="K"  value="280.54" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4812" />
+  <B value="921.84" />
+  <C value="-0.40943" />
+  <D value="6.8984E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="375.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4641E-07" />
+  <B value="0.66525" />
+  <C value="208.96" />
+  <D value="-62.76" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010889" />
+  <B value="-36.658" />
+  <C value="-1.2206" />
+  <D value="-0.0022413" />
+  <E value="-2.5211E-07" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.017912" />
+  <B value="0.4825" />
+  <C value="-3887.7" />
+  <D value="-1296300" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.03956" />
+  <B value="2.1919" />
+  <C value="-2.4093" />
+  <D value="-0.0008791" />
+  <E value="-0.0000010614" />
+  <Tmin units="K"  value="196.29" />
+  <Tmax units="K"  value="561.08" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="65152" />
+  <B value="75.254" />
+  <C value="0.6704" />
+  <D value="-0.00090187" />
+  <E value="3.5611E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.291" />
+  <B value="3150.2" />
+  <C value="-52.754" />
+  <Tmin units="K"  value="339.46" />
+  <Tmax units="K"  value="503.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6033" />
+  <B value="-0.010188" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="375.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.317875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.001774E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="208.7519" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042749" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.812771" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.346" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10733" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.346" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10733" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-87-9" />
+<Smiles name="SMILES"  value="CC(=O)CCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1062" />
+<CompoundID name="Name"  value="2-hexanone" />
+<StructureFormula name="Structure"  value="CH3COCH2CH2CH2CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="587" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3320000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.378" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="400.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="217.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.44559" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.161" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1241" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.393" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.093E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17600" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.94E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.79826E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.30081E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="417856" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.49E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.06376" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.49E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.083" />
+  <B value="-0.0056905" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.94" />
+  <Tmax units="K"  value="217.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.58528" />
+  <B value="0.23872" />
+  <C value="587.62" />
+  <D value="0.26191" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="587.61" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.22606" />
+  <B value="-7467.987" />
+  <C value="-8.650385" />
+  <D value="4.736711E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="587.61" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.140665E+07" />
+  <B value="1.724728" />
+  <C value="-1.991428" />
+  <D value="0.65901" />
+  <E value="0.10235" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="568.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5223.7" />
+  <B value="839.15" />
+  <C value="4.7323" />
+  <D value="-0.068211" />
+  <E value="0.00021333" />
+  <Tmin units="K"  value="39.76" />
+  <Tmax units="K"  value="217.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="171430" />
+  <B value="304.46" />
+  <C value="6.7554" />
+  <D value="0.010928" />
+  <E value="-0.0000044198" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101950" />
+  <B value="-647" />
+  <C value="12.874" />
+  <D value="0.00017699" />
+  <E value="-1.3836E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24744" />
+  <B value="-284.68" />
+  <C value="-57.772" />
+  <D value="-30750" />
+  <E value="48339" />
+  <Tmin units="K"  value="293.8" />
+  <Tmax units="K"  value="1877.53" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5407" />
+  <B value="1129.1" />
+  <C value="-0.30673" />
+  <D value="6.1273E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7562E-07" />
+  <B value="0.7037" />
+  <C value="196.23" />
+  <D value="-7085.8" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0056603" />
+  <B value="-27.398" />
+  <C value="-1.2811" />
+  <D value="-0.0017572" />
+  <E value="-3.9285E-07" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.96934" />
+  <B value="0.03859" />
+  <C value="-1883.3" />
+  <D value="-1.1142E+07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0081399" />
+  <B value="117.23" />
+  <C value="-3.9614" />
+  <D value="0.003099" />
+  <E value="-0.0000084515" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="568.12" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="76044" />
+  <B value="72.344" />
+  <C value="0.89264" />
+  <D value="-0.0012053" />
+  <E value="4.7958E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.044" />
+  <B value="3173.6" />
+  <C value="-67.224" />
+  <Tmin units="K"  value="353.76" />
+  <Tmax units="K"  value="525" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3896" />
+  <B value="-0.013212" />
+  <Tmin units="K"  value="217.35" />
+  <Tmax units="K"  value="400.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.986748E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="276.0277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492648" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81617" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.393" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1241" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.393" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17600" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1241" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="591-78-6" />
+<Smiles name="SMILES"  value="CC(=O)CCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1063" />
+<CompoundID name="Name"  value="2-heptanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)4CH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="611.55" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="424.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="238.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="238.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.54477" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140675" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.418982" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.498E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17400" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.71E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.00453E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.21796E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="456893" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.84E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1875" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.09952E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.5843" />
+  <B value="-0.0044928" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="95.26" />
+  <Tmax units="K"  value="238.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42296" />
+  <B value="0.21673" />
+  <C value="611.55" />
+  <D value="0.2517" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="104.1321" />
+  <B value="-8934.299" />
+  <C value="-12.02629" />
+  <D value="6.758209E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.522658E+07" />
+  <B value="0.472207" />
+  <C value="0.238382" />
+  <D value="-0.54369" />
+  <E value="0.222217" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7238.3" />
+  <B value="975.88" />
+  <C value="-2.0519" />
+  <D value="0.0057069" />
+  <E value="-0.000007064" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="238.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="168580" />
+  <B value="759.37" />
+  <C value="3.3604" />
+  <D value="0.023088" />
+  <E value="-0.000017848" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="490" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119760" />
+  <B value="-702.71" />
+  <C value="13.229" />
+  <D value="-0.000074262" />
+  <E value="-4.5595E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28693" />
+  <B value="-334.98" />
+  <C value="-80.089" />
+  <D value="-38529" />
+  <E value="52793" />
+  <Tmin units="K"  value="305.7" />
+  <Tmax units="K"  value="1955.78" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.5709" />
+  <B value="1186.6" />
+  <C value="-0.30187" />
+  <D value="0.0000013185" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="424.18" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5766E-07" />
+  <B value="0.71212" />
+  <C value="201.61" />
+  <D value="-8396.4" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.061916" />
+  <B value="-162.99" />
+  <C value="-0.59984" />
+  <D value="-0.0044095" />
+  <E value="-0.0000013415" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="424.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="2047.3" />
+  <B value="1.0324" />
+  <C value="2.297E+10" />
+  <D value="7.8096E+08" />
+  <Tmin units="K"  value="424.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.006816" />
+  <B value="130.1" />
+  <C value="-4.0853" />
+  <D value="0.0033192" />
+  <E value="-0.0000084854" />
+  <Tmin units="K"  value="238.15" />
+  <Tmax units="K"  value="611.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="53177" />
+  <B value="423.37" />
+  <C value="-0.032339" />
+  <D value="-0.000077198" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.272" />
+  <B value="-5975" />
+  <C value="-35.85" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.063" />
+  <B value="3363.5" />
+  <C value="-71.468" />
+  <Tmin units="K"  value="367" />
+  <Tmax units="K"  value="550" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9476" />
+  <B value="-0.010818" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="424.18" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.34622E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="275.531" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.64789" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563666" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.820117" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.418982" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140675" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.3304" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.418982" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17400" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140675" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-43-0" />
+<Smiles name="SMILES"  value="CC(=O)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1064" />
+<CompoundID name="Name"  value="5-methyl-2-hexanone" />
+<StructureFormula name="Structure"  value="CH3CO(CH2)2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="601" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="417.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0241997" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141298" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.434398" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.329E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17740" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07995" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.123E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.04E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.22E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="446000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.1E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8634" />
+  <B value="-0.0054919" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.7" />
+  <Tmax units="K"  value="199.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59436" />
+  <B value="0.2568" />
+  <C value="601" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="114.12" />
+  <B value="-9180" />
+  <C value="-13.613" />
+  <D value="0.0000087656" />
+  <E value="2" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.005371E+07" />
+  <B value="1.17745" />
+  <C value="-0.708374" />
+  <D value="-0.221424" />
+  <E value="0.184955" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="195490" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="601" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="125240" />
+  <B value="163.14" />
+  <C value="9.1111" />
+  <D value="0.0074883" />
+  <E value="-0.0000035144" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="96832" />
+  <B value="-530.6" />
+  <C value="12.878" />
+  <D value="0.00028483" />
+  <E value="-1.1552E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23033" />
+  <B value="-274.58" />
+  <C value="-81.341" />
+  <D value="-10255" />
+  <E value="-37295" />
+  <Tmin units="K"  value="300.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.292" />
+  <B value="1388.7" />
+  <C value="0.61336" />
+  <D value="-0.0000015372" />
+  <E value="2" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5504E-07" />
+  <B value="0.6089" />
+  <C value="292.03" />
+  <D value="-90.104" />
+  <Tmin units="K"  value="417.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.18233" />
+  <B value="17.124" />
+  <C value="-1.0595" />
+  <D value="-0.000040298" />
+  <E value="-9.9547E-07" />
+  <Tmin units="K"  value="180.3" />
+  <Tmax units="K"  value="480.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1467.4" />
+  <B value="1.0438" />
+  <C value="1.713E+10" />
+  <D value="-1.5385E+11" />
+  <Tmin units="K"  value="417.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010301" />
+  <B value="67.628" />
+  <C value="-3.3971" />
+  <D value="0.0010921" />
+  <E value="-0.0000054599" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="601" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="3468.2" />
+  <B value="653.98" />
+  <C value="-0.36734" />
+  <D value="0.000079674" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.70264" />
+  <B value="-6550" />
+  <C value="-39.3" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.335" />
+  <B value="3511.9" />
+  <C value="-59.958" />
+  <Tmin units="K"  value="367.25" />
+  <Tmax units="K"  value="537.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.5869" />
+  <B value="-0.015027" />
+  <Tmin units="K"  value="199.25" />
+  <Tmax units="K"  value="417.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434528" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.381495E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="266.9142" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563476" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.816947" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.434398" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141298" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2703" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.492" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.434398" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17740" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141298" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-12-3" />
+<Smiles name="SMILES"  value="CC(=O)CCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1066" />
+<CompoundID name="Name"  value="3,3-dimethyl-2-butanone" />
+<StructureFormula name="Structure"  value="(CH3)3CCOCH3" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="567" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3470000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.368" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="379.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="221.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="221.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="14.4334" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.124869" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.327309" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.643E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06971" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.008E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.905E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.307E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="384400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.133E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08969" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.4837E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="11.11" />
+  <B value="-0.0062798" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="88.46" />
+  <Tmax units="K"  value="221.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.050005" />
+  <B value="0.070782" />
+  <C value="567" />
+  <D value="0.11676" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.48771" />
+  <B value="-7385.263" />
+  <C value="-10.71444" />
+  <D value="7.878115E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0163E+07" />
+  <B value="0.36416" />
+  <C value="-0.10654" />
+  <D value="0.27936" />
+  <E value="-0.16414" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12892" />
+  <B value="1715.9" />
+  <C value="-11.85" />
+  <D value="0.049444" />
+  <E value="-0.000066905" />
+  <Tmin units="K"  value="11.42" />
+  <Tmax units="K"  value="215.13" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="154180" />
+  <B value="195.77" />
+  <C value="7.7152" />
+  <D value="0.0092036" />
+  <E value="-0.0000029177" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104260" />
+  <B value="-866.95" />
+  <C value="13.572" />
+  <D value="-0.00063607" />
+  <E value="2.0716E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21862" />
+  <B value="-246.98" />
+  <C value="-51.298" />
+  <D value="-13508" />
+  <E value="12998" />
+  <Tmin units="K"  value="282" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.254" />
+  <B value="1373.2" />
+  <C value="1.3346" />
+  <D value="-0.0000032641" />
+  <E value="2" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="379.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.8869E-07" />
+  <B value="0.70026" />
+  <C value="190.78" />
+  <D value="-6542.3" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15399" />
+  <B value="9.8963" />
+  <C value="-1.0886" />
+  <D value="-0.00030883" />
+  <E value="-9.2007E-07" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="450" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1744.4" />
+  <B value="1.0305" />
+  <C value="1.6872E+10" />
+  <D value="-1.3896E+11" />
+  <Tmin units="K"  value="379.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051063" />
+  <B value="135.01" />
+  <C value="-4.5681" />
+  <D value="0.0055635" />
+  <E value="-0.000012777" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="564" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1641.8" />
+  <B value="551.82" />
+  <C value="-0.27948" />
+  <D value="0.000048732" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.806" />
+  <B value="2939.8" />
+  <C value="-62.476" />
+  <Tmin units="K"  value="343.57" />
+  <Tmax units="K"  value="509.87" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2054" />
+  <B value="-0.013548" />
+  <Tmin units="K"  value="221.15" />
+  <Tmax units="K"  value="379.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375222" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.702327E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="294.0371" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.91793" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0479897" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.810203" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.327309" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.124869" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5952" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.032" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.11079" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.327309" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16920" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.124869" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="18"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-97-8" />
+<Smiles name="SMILES"  value="CC(=O)C(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1068" />
+<CompoundID name="Name"  value="Diisobutyl ketone" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2COCH2CH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="620" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.522" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="441.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="227" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="227.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.249815" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="142.239" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.177418" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.511608" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.614E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1004" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.392E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.576E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.13E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="509000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.31E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.6183" />
+  <B value="-0.0037318" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="90.87" />
+  <Tmax units="K"  value="227.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.3783" />
+  <B value="0.23231" />
+  <C value="620" />
+  <D value="0.24664" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="594.59" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="122.1783" />
+  <B value="-10064.3" />
+  <C value="-14.70184" />
+  <D value="8.652147E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.9161E+07" />
+  <B value="-1.6509" />
+  <C value="5.8937" />
+  <D value="-6.6307" />
+  <E value="2.7354" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9143.1" />
+  <B value="1265" />
+  <C value="-2.7426" />
+  <D value="0.0078943" />
+  <E value="-0.000010141" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="227.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85834" />
+  <B value="-102.6" />
+  <C value="11.702" />
+  <D value="0.0033978" />
+  <E value="-0.0000021321" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="457.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="118320" />
+  <B value="-505.35" />
+  <C value="13.11" />
+  <D value="0.00028036" />
+  <E value="-1.0389E-07" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.35808" />
+  <B value="-394.11" />
+  <C value="-102.92" />
+  <D value="-39523" />
+  <E value="59420" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-74.692" />
+  <B value="4018.6" />
+  <C value="9.6018" />
+  <D value="-0.0000061216" />
+  <E value="2" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="492" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3916E-07" />
+  <B value="0.72063" />
+  <C value="190.96" />
+  <D value="-7816.5" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.12088" />
+  <B value="22.25" />
+  <C value="-1.2974" />
+  <D value="0.0000088903" />
+  <E value="-0.0000012079" />
+  <Tmin units="K"  value="184.5" />
+  <Tmax units="K"  value="492" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-380230" />
+  <B value="0.02484" />
+  <C value="1.3363E+08" />
+  <D value="-3.9523E+12" />
+  <Tmin units="K"  value="441.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0094457" />
+  <B value="58.092" />
+  <C value="-3.5149" />
+  <D value="0.0011642" />
+  <E value="-0.0000051425" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="615" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7717.8" />
+  <B value="827.5" />
+  <C value="-0.45679" />
+  <D value="0.000095765" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.348" />
+  <B value="3706.7" />
+  <C value="-63.996" />
+  <Tmin units="K"  value="373" />
+  <Tmax units="K"  value="553.76" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7658" />
+  <B value="-0.010524" />
+  <Tmin units="K"  value="227.17" />
+  <Tmax units="K"  value="492" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.559462" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.817308E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.4344" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="190.79" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0689388" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.809782" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.511608" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.177418" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6183" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.568" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.511608" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.177418" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="20"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-83-8" />
+<Smiles name="SMILES"  value="CC(C)CC(=O)CC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1069" />
+<CompoundID name="Name"  value="Diisopropyl ketone" />
+<StructureFormula name="Structure"  value="(CH3)2CHCOCH(CH3)2" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="582" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.416" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="397.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="204" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="204.81" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.820585" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.142561" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.404427" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.904E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16330" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.11E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07994" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.122E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.16E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.237E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="427000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.118E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1748" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.095E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.8299" />
+  <B value="-0.0059994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="81.92" />
+  <Tmax units="K"  value="204.81" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.013793" />
+  <B value="0.039842" />
+  <C value="582" />
+  <D value="0.095675" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.12" />
+  <B value="-8385.7" />
+  <C value="-12.681" />
+  <D value="0.0000089823" />
+  <E value="2" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="580" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.205456E+07" />
+  <B value="3.802881" />
+  <C value="-9.83224" />
+  <D value="10.38407" />
+  <E value="-3.829124" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-4606.3" />
+  <B value="1087.6" />
+  <C value="3.3297" />
+  <D value="-0.060174" />
+  <E value="0.00019999" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="204.81" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="180230" />
+  <B value="-51.129" />
+  <C value="8.6687" />
+  <D value="0.010407" />
+  <E value="-0.0000076786" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="410" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60064" />
+  <B value="-502.12" />
+  <C value="13.055" />
+  <D value="0.00012498" />
+  <E value="-3.7343E-08" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26243" />
+  <B value="-290.37" />
+  <C value="-61.044" />
+  <D value="-22979" />
+  <E value="26222" />
+  <Tmin units="K"  value="288" />
+  <Tmax units="K"  value="1842" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-5.6405" />
+  <B value="1129.7" />
+  <C value="-1.0122" />
+  <D value="0.0000027665" />
+  <E value="2" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="397.55" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7015E-07" />
+  <B value="0.70572" />
+  <C value="193.2" />
+  <D value="-7481.9" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11955" />
+  <B value="20.681" />
+  <C value="-1.3034" />
+  <D value="0.0000051067" />
+  <E value="-0.0000013764" />
+  <Tmin units="K"  value="172.8" />
+  <Tmax units="K"  value="460" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-9.5076" />
+  <B value="-0.0072136" />
+  <C value="2380.8" />
+  <D value="-7.251E+07" />
+  <Tmin units="K"  value="397.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0095536" />
+  <B value="69.06" />
+  <C value="-3.5576" />
+  <D value="0.0014554" />
+  <E value="-0.0000061411" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="576" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36824" />
+  <B value="754.57" />
+  <C value="-0.45548" />
+  <D value="0.00010732" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.12" />
+  <B value="3193.7" />
+  <C value="-64.256" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="520" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6441" />
+  <B value="-0.015251" />
+  <Tmin units="K"  value="204.81" />
+  <Tmax units="K"  value="397.55" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434469" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.949942E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="305.9995" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.68836" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0550018" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724326" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.404427" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.142561" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0493" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.568" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.95543" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.404427" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16330" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.142561" />
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="18"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="565-80-0" />
+<Smiles name="SMILES"  value="CC(C)C(=O)C(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1003" />
+<CompoundID name="Name"  value="Propanal" />
+<StructureFormula name="Structure"  value="CH3CH2CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="493.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.223" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.239" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="321.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="193.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.31328" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.0791" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0734076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.330077" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.6241E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19320" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.41E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.84E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.874E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.244E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="304700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8580000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6857E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.081" />
+  <B value="-0.012081" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68" />
+  <Tmax units="K"  value="193.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81482" />
+  <B value="0.2126" />
+  <C value="493.15" />
+  <D value="0.21277" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="492.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.8631" />
+  <B value="-6856.828" />
+  <C value="-13.8218" />
+  <D value="0.0000173391" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="504.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.196909E+07" />
+  <B value="1.837694" />
+  <C value="-1.953499" />
+  <D value="-0.000443949" />
+  <E value="0.620394" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="486.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="91450" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="493.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116710" />
+  <B value="75.622" />
+  <C value="5.752" />
+  <D value="0.010877" />
+  <E value="0.0000042986" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="350.28" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-181030" />
+  <B value="9.3832" />
+  <C value="12.233" />
+  <D value="0.00079415" />
+  <E value="-2.4738E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12887" />
+  <B value="-136.56" />
+  <C value="-21.224" />
+  <D value="-4367.6" />
+  <E value="283.41" />
+  <Tmin units="K"  value="286.25" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.033" />
+  <B value="843.41" />
+  <C value="-0.14954" />
+  <D value="3.8846E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="321.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9173E-07" />
+  <B value="0.71905" />
+  <C value="111.91" />
+  <D value="4618.1" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020248" />
+  <B value="-83.587" />
+  <C value="-0.55331" />
+  <D value="-0.0042681" />
+  <E value="0.0000015626" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="776.87" />
+  <B value="0.94095" />
+  <C value="4.8356E+09" />
+  <D value="-1.3358E+11" />
+  <Tmin units="K"  value="321.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.037283" />
+  <B value="-60.689" />
+  <C value="-1.5611" />
+  <D value="-0.0040346" />
+  <E value="0.0000015379" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="486.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="34187" />
+  <B value="159.05" />
+  <C value="0.0057665" />
+  <D value="-0.000022543" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.208" />
+  <B value="2686.9" />
+  <C value="-43.655" />
+  <Tmin units="K"  value="296.75" />
+  <Tmax units="K"  value="434" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7237" />
+  <B value="-0.014511" />
+  <Tmin units="K"  value="170" />
+  <Tmax units="K"  value="321.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20696" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.303801E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="186.2621" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.239" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0279786" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.804475" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.330077" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0734076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5735" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.336" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.255909" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19320" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0734076" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-38-6" />
+<Smiles name="SMILES"  value="CCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1005" />
+<CompoundID name="Name"  value="Butanal" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="521.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4000000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.263" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="347.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.316993" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.1057" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0904328" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.277417" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.185E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04927" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.07E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.1539E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="344900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.109E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1626" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3035E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.988" />
+  <B value="-0.001057" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="176.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0715" />
+  <B value="0.2723" />
+  <C value="521.3" />
+  <D value="0.27225" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="521.29" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.51827" />
+  <B value="-7112.269" />
+  <C value="-11.7407" />
+  <D value="9.521179E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="537.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.118197E+07" />
+  <B value="-1.36073" />
+  <C value="5.949252" />
+  <D value="-7.213209" />
+  <E value="2.926745" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="518.23" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="9188.9" />
+  <B value="764.82" />
+  <C value="-3.4299" />
+  <D value="0.018702" />
+  <E value="-0.000037326" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="176.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="146790" />
+  <B value="-6569.4" />
+  <C value="41.653" />
+  <D value="-0.01116" />
+  <E value="-0.000075065" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="328.29" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84791" />
+  <B value="-954.83" />
+  <C value="13.167" />
+  <D value="-0.00050103" />
+  <E value="1.5222E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17145" />
+  <B value="-192.91" />
+  <C value="-29.941" />
+  <D value="-10155" />
+  <E value="12958" />
+  <Tmin units="K"  value="268.6" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-14.207" />
+  <B value="1014.9" />
+  <C value="0.55992" />
+  <D value="-0.0000018129" />
+  <E value="2" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="348.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4037E-07" />
+  <B value="0.50713" />
+  <C value="464.89" />
+  <D value="-11049" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.054171" />
+  <B value="0.30189" />
+  <C value="-1.9042" />
+  <D value="-0.00054405" />
+  <E value="-0.0000037387" />
+  <Tmin units="K"  value="174.95" />
+  <Tmax units="K"  value="382.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="784.27" />
+  <B value="0.98392" />
+  <C value="6.406E+09" />
+  <D value="-1.3461E+11" />
+  <Tmin units="K"  value="347.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074594" />
+  <B value="191.36" />
+  <C value="-4.9677" />
+  <D value="0.0077444" />
+  <E value="-0.000016096" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="518.23" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="30948" />
+  <B value="264.36" />
+  <C value="-0.061487" />
+  <D value="-0.0000068962" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.929" />
+  <B value="2779.4" />
+  <C value="-52.488" />
+  <Tmin units="K"  value="312.85" />
+  <Tmax units="K"  value="461.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4747" />
+  <B value="-0.014139" />
+  <Tmin units="K"  value="176.75" />
+  <Tmax units="K"  value="348.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261872" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.31009E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="231.4515" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="88.19" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4313" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0356078" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.806991" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.277417" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0904328" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2479" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.876" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.654" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.277417" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0904328" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-72-8" />
+<Smiles name="SMILES"  value="CCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1007" />
+<CompoundID name="Name"  value="Pentanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)3CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="554" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3500000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.316" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="376.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0522823" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.1323" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.107035" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.390803" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.516E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0595" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.2669E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.0711E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382890" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.5E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.91E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.416" />
+  <B value="-0.0086288" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.8" />
+  <Tmax units="K"  value="182" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76227" />
+  <B value="0.25072" />
+  <C value="566.11" />
+  <D value="0.27912" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="566.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="92.63614" />
+  <B value="-7428.499" />
+  <C value="-10.51804" />
+  <D value="7.160109E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="566.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.99504E+07" />
+  <B value="0.991037" />
+  <C value="0.252443" />
+  <D value="-1.761713" />
+  <E value="0.936026" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="545.88" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-17544" />
+  <B value="1682.5" />
+  <C value="-12.848" />
+  <D value="0.067016" />
+  <E value="-0.00013817" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156770" />
+  <B value="199.89" />
+  <C value="4.2571" />
+  <D value="0.024547" />
+  <E value="-0.000022679" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="424.57" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="101560" />
+  <B value="-929.74" />
+  <C value="13.391" />
+  <D value="-0.0005525" />
+  <E value="1.6606E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19709" />
+  <B value="-224.42" />
+  <C value="-40.148" />
+  <D value="-19532" />
+  <E value="30096" />
+  <Tmin units="K"  value="283.05" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.884" />
+  <B value="982.07" />
+  <C value="-0.00046989" />
+  <D value="2.2767E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="376.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.2718E-07" />
+  <B value="0.67661" />
+  <C value="192.16" />
+  <D value="-86.47" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.010965" />
+  <B value="-0.28239" />
+  <C value="-1.5585" />
+  <D value="-0.0012856" />
+  <E value="-0.0000013221" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="513.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-3901000" />
+  <B value="-0.05461" />
+  <C value="1.6551E+09" />
+  <D value="-2.4357E+13" />
+  <Tmin units="K"  value="376.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0058735" />
+  <B value="202.77" />
+  <C value="-5.1928" />
+  <D value="0.0083152" />
+  <E value="-0.00001616" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="545.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="31485" />
+  <B value="357.59" />
+  <C value="-0.11667" />
+  <D value="0.0000049337" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.106" />
+  <B value="3045.8" />
+  <C value="-58.174" />
+  <Tmin units="K"  value="337.15" />
+  <Tmax units="K"  value="485.24" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3505" />
+  <B value="-0.013773" />
+  <Tmin units="K"  value="182" />
+  <Tmax units="K"  value="376.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.317875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.283707E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.3623" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="108.71" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042492" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.814463" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.390803" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.107035" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9223" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.347159" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.107035" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-62-3" />
+<Smiles name="SMILES"  value="CCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1009" />
+<CompoundID name="Name"  value="Hexanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)4CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="579" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3110000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.369" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="217.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="217.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.24729" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.159" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.123708" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.439121" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.924E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06973" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.4732E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9.882E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422140" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.89E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.135951" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.52E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.093" />
+  <B value="-0.0058504" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="86.86" />
+  <Tmax units="K"  value="217.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3196" />
+  <B value="0.35571" />
+  <C value="579" />
+  <D value="0.38551" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="209.3738" />
+  <B value="-12430.59" />
+  <C value="-28.59364" />
+  <D value="0.0000281667" />
+  <E value="2" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="591" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.570251E+07" />
+  <B value="-0.000821879" />
+  <C value="0.788181" />
+  <D value="-0.0470431" />
+  <E value="-0.460389" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16038" />
+  <B value="1391.2" />
+  <C value="-4.6944" />
+  <D value="0.002827" />
+  <E value="0.000027528" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="214.94" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="175480" />
+  <B value="98.975" />
+  <C value="6.7267" />
+  <D value="0.013876" />
+  <E value="-0.0000081365" />
+  <Tmin units="K"  value="214.94" />
+  <Tmax units="K"  value="443.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115820" />
+  <B value="-867.39" />
+  <C value="13.422" />
+  <D value="-0.00036658" />
+  <E value="7.4569E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23651" />
+  <B value="-272.87" />
+  <C value="-57.26" />
+  <D value="-28587" />
+  <E value="42501" />
+  <Tmin units="K"  value="295.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.85" />
+  <B value="1055.4" />
+  <C value="0.17945" />
+  <D value="-3.4838E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="401.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.6626E-07" />
+  <B value="0.71206" />
+  <C value="185.2" />
+  <D value="-6483.1" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0039289" />
+  <B value="-19.957" />
+  <C value="-1.3588" />
+  <D value="-0.0017925" />
+  <E value="-6.0508E-07" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5919900" />
+  <B value="-0.017833" />
+  <C value="2.2842E+09" />
+  <D value="-4.7916E+13" />
+  <Tmin units="K"  value="401.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0098512" />
+  <B value="146.83" />
+  <C value="-4.2826" />
+  <D value="0.0042701" />
+  <E value="-0.000009235" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="571.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29579" />
+  <B value="452.38" />
+  <C value="-0.16247" />
+  <D value="0.0000084363" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.836" />
+  <B value="3074" />
+  <C value="-71.172" />
+  <Tmin units="K"  value="352.15" />
+  <Tmax units="K"  value="512.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.7935" />
+  <B value="-0.011421" />
+  <Tmin units="K"  value="217.15" />
+  <Tmax units="K"  value="401.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.375336" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.739367E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.1391" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="129.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0492739" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.821257" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.439121" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.123708" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5967" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.387184" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.123708" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="66-25-1" />
+<Smiles name="SMILES"  value="CCCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1008" />
+<CompoundID name="Name"  value="Heptanal" />
+<StructureFormula name="Structure"  value="CH3(CH2)5CHO" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="603" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.421" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="229.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.44979" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="114.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140287" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.488466" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.124E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.6401E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.653E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="461380" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.359E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.136E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.6462" />
+  <B value="-0.004691" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="91.92" />
+  <Tmax units="K"  value="230.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53646" />
+  <B value="0.24452" />
+  <C value="616.81" />
+  <D value="0.26981" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="616.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.36" />
+  <B value="-9179.6" />
+  <C value="-12.655" />
+  <D value="0.0000073363" />
+  <E value="2" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="617" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.244116E+07" />
+  <B value="0.224744" />
+  <C value="0.949788" />
+  <D value="-1.500319" />
+  <E value="0.675167" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="596.43" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="11626" />
+  <B value="464.04" />
+  <C value="9.9687" />
+  <D value="-0.0854" />
+  <E value="0.0002123" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="210" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="200220" />
+  <B value="128.23" />
+  <C value="7.474" />
+  <D value="0.012008" />
+  <E value="-0.0000080423" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="462.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131660" />
+  <B value="-858.87" />
+  <C value="13.596" />
+  <D value="-0.00041213" />
+  <E value="8.8955E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27254" />
+  <B value="-318.17" />
+  <C value="-77.952" />
+  <D value="-41429" />
+  <E value="58799" />
+  <Tmin units="K"  value="308.4" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="8.4077" />
+  <B value="475.87" />
+  <C value="-3.0758" />
+  <D value="0.0000053404" />
+  <E value="2" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="425.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4563E-07" />
+  <B value="0.72362" />
+  <C value="184.89" />
+  <D value="-7288.6" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.02754" />
+  <B value="-55.074" />
+  <C value="-1.243" />
+  <D value="-0.0022084" />
+  <E value="-0.0000010637" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="553.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1569.2" />
+  <B value="1.0102" />
+  <C value="1.4874E+10" />
+  <D value="2.7536E+11" />
+  <Tmin units="K"  value="425.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.073851" />
+  <B value="-32.28" />
+  <C value="-1.708" />
+  <D value="-0.0018301" />
+  <E value="6.9211E-07" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="596.43" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28302" />
+  <B value="549.96" />
+  <C value="-0.22024" />
+  <D value="0.000020347" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-7.855" />
+  <B value="-4535" />
+  <C value="-27.21" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.509" />
+  <B value="3688.3" />
+  <C value="-56.603" />
+  <Tmin units="K"  value="364.15" />
+  <Tmax units="K"  value="535.33" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.691" />
+  <B value="-0.010949" />
+  <Tmin units="K"  value="229.8" />
+  <Tmax units="K"  value="425.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.82117E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="339.3681" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="149.75" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0559389" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.822566" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.488466" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140287" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2711" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.496" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.42794" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140287" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="20"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="20"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-71-7" />
+<Smiles name="SMILES"  value="CCCCCCC=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1403" />
+<CompoundID name="Name"  value="Diisopropyl ether" />
+<StructureFormula name="Structure"  value="CH3CH(CH3)OCH(CH3)CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="500.05" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.386" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="341.45" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.8582" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141775" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338683" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.906E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0719399" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.022E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.18988E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.248E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="382000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.103E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91199" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.70234E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.235" />
+  <B value="-0.0060556" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.06" />
+  <Tmax units="K"  value="187.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72527" />
+  <B value="0.27594" />
+  <C value="500.05" />
+  <D value="0.29413" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="109.5333" />
+  <B value="-7120.297" />
+  <C value="-13.51365" />
+  <D value="0.0000143778" />
+  <E value="2" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="500.05" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8041E+07" />
+  <B value="2.3385" />
+  <C value="-5.2086" />
+  <D value="5.0367" />
+  <E value="-1.6926" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12905" />
+  <B value="1581.3" />
+  <C value="-8.8913" />
+  <D value="0.036008" />
+  <E value="-0.000053243" />
+  <Tmin units="K"  value="10" />
+  <Tmax units="K"  value="187.77" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="161880" />
+  <B value="-2.8879" />
+  <C value="7.7638" />
+  <D value="0.014551" />
+  <E value="-0.000013251" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69454" />
+  <B value="-410.18" />
+  <C value="12.642" />
+  <D value="0.00044085" />
+  <E value="-1.3595E-07" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20132" />
+  <B value="-190.66" />
+  <C value="-42.523" />
+  <D value="5178" />
+  <E value="-15257" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.064" />
+  <B value="932.47" />
+  <C value="-0.38815" />
+  <D value="0.0000010323" />
+  <E value="2" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0782E-07" />
+  <B value="0.58517" />
+  <C value="121.4" />
+  <D value="19303" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.067752" />
+  <B value="-462.02" />
+  <C value="2.3997" />
+  <D value="-0.014453" />
+  <E value="0.0000029856" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00010149" />
+  <B value="1.0246" />
+  <C value="180.97" />
+  <D value="93179" />
+  <Tmin units="K"  value="328.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092656" />
+  <B value="51.562" />
+  <C value="-3.4763" />
+  <D value="0.0012682" />
+  <E value="-0.000007923" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="483.61" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7177.4" />
+  <B value="598.8" />
+  <C value="-0.32962" />
+  <D value="0.000071947" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.907471" />
+  <B value="-1950" />
+  <C value="-11.7" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.585" />
+  <B value="3179.8" />
+  <C value="-25.516" />
+  <Tmin units="K"  value="300.26" />
+  <Tmax units="K"  value="450" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4668" />
+  <B value="-0.015287" />
+  <Tmin units="K"  value="187.65" />
+  <Tmax units="K"  value="341.45" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387973" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.626648E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="281.4279" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.82949" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0513038" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.730337" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338683" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141775" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7421" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.088" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.025312" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="-0.033494" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-2.1989" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338683" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141775" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-20-3" />
+<Smiles name="SMILES"  value="CC(C)OC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1404" />
+<CompoundID name="Name"  value="Di-n-butyl ether" />
+<StructureFormula name="Structure"  value="(C4H9)2O" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="580.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2380000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.511" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="177.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="175.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000714135" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.228" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.17041" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.447646" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.797E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.9E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09192" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.288E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.339E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-8.827E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="481200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.63E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.33492" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.94716E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.3732" />
+  <B value="-0.005226" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="70.12" />
+  <Tmax units="K"  value="177.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.22926" />
+  <B value="0.17412" />
+  <C value="584.11" />
+  <D value="0.21764" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="584.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="95.7043" />
+  <B value="-8294.241" />
+  <C value="-10.81822" />
+  <D value="6.127187E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="584.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.4859E+07" />
+  <B value="0.77992" />
+  <C value="-0.72383" />
+  <D value="0.38094" />
+  <E value="-0.025388" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="562.58" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="580.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="198760" />
+  <B value="65.432" />
+  <C value="9.8123" />
+  <D value="0.0039694" />
+  <E value="8.4178E-07" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152990" />
+  <B value="-805.71" />
+  <C value="13.605" />
+  <D value="-0.00024656" />
+  <E value="5.3497E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34998" />
+  <B value="-389.07" />
+  <C value="-72.95" />
+  <D value="-21323" />
+  <E value="26825" />
+  <Tmin units="K"  value="290.5" />
+  <Tmax units="K"  value="1856.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.743" />
+  <B value="-83.003" />
+  <C value="-4.9404" />
+  <D value="0.000004096" />
+  <E value="2" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="414.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000002113" />
+  <B value="0.66224" />
+  <C value="141.56" />
+  <D value="6932" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.067128" />
+  <B value="2.4703" />
+  <C value="-1.3291" />
+  <D value="-0.0010011" />
+  <E value="-2.5742E-07" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="523.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0036064" />
+  <B value="0.57918" />
+  <C value="1401.9" />
+  <D value="287150" />
+  <Tmin units="K"  value="280.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01167" />
+  <B value="44.906" />
+  <C value="-3.3567" />
+  <D value="0.00097712" />
+  <E value="-0.0000052216" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="562.58" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="34113" />
+  <B value="646.38" />
+  <C value="-0.25439" />
+  <D value="0.000025866" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.921" />
+  <B value="3199" />
+  <C value="-73.256" />
+  <Tmin units="K"  value="353.35" />
+  <Tmax units="K"  value="522.04" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3266" />
+  <B value="-0.013047" />
+  <Tmin units="K"  value="175.3" />
+  <Tmax units="K"  value="414.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.506519" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.988813E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.6962" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.87345" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0666012" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.77463" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.447646" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.17041" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0925" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.176" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.06222" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447646" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.17041" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-96-1" />
+<Smiles name="SMILES"  value="CCCCOCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1406" />
+<CompoundID name="Name"  value="Di-sec-butyl ether" />
+<StructureFormula name="Structure"  value="C2H5(CH3)CHOCH(CH3)C2H5" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="562" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2556000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="394.2" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="173.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="173.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0027863" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.228" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.171577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.329" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.373E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0924" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.292E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.609E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="501000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.9233E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.4542" />
+  <B value="-0.0061032" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.26" />
+  <Tmax units="K"  value="173.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.038135" />
+  <B value="0.072155" />
+  <C value="562" />
+  <D value="0.11862" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.5292" />
+  <B value="-8146.755" />
+  <C value="-11.97808" />
+  <D value="8.058954E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="560" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5999E+07" />
+  <B value="0.34375" />
+  <C value="0.18962" />
+  <D value="-0.14755" />
+  <E value="-0.0040987" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="562" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="102180" />
+  <B value="-37.551" />
+  <C value="10.606" />
+  <D value="0.0064949" />
+  <E value="-0.0000048029" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="420" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94528" />
+  <B value="-497.39" />
+  <C value="13.241" />
+  <D value="0.000057744" />
+  <E value="-1.2606E-09" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31867" />
+  <B value="-341.87" />
+  <C value="-60.467" />
+  <D value="-9470.7" />
+  <E value="6002.4" />
+  <Tmin units="K"  value="281" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.318" />
+  <B value="1230.4" />
+  <C value="-0.20919" />
+  <D value="4.9411E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="394.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1864E-07" />
+  <B value="0.74861" />
+  <C value="137.78" />
+  <D value="-4500.8" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.027499" />
+  <B value="27.604" />
+  <C value="-2.2754" />
+  <D value="0.00032105" />
+  <E value="-0.0000044406" />
+  <Tmin units="K"  value="167.7" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016749" />
+  <B value="0.96101" />
+  <C value="656.84" />
+  <D value="-691.7" />
+  <Tmin units="K"  value="394.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010066" />
+  <B value="43.992" />
+  <C value="-3.3461" />
+  <D value="0.00062354" />
+  <E value="-0.0000053912" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="559" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-28426" />
+  <B value="952.53" />
+  <C value="-0.64748" />
+  <D value="0.00017987" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.954" />
+  <B value="3141.6" />
+  <C value="-61.002" />
+  <Tmin units="K"  value="350" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.7138" />
+  <B value="-0.01814" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="394.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.509471" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.096626E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="324.9059" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0642045" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.769756" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.329" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.171577" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.0909" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.168" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.329" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.171577" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6863-58-7" />
+<Smiles name="SMILES"  value="CCC(C)OC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1407" />
+<CompoundID name="Name"  value="Methyl ethyl ether" />
+<StructureFormula name="Structure"  value="CH3CH2OCH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="437.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.221" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="280.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.85121" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.096" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.08585" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.236" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.594E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15370" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04127" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.19E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.164E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.177E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="308810" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7980000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.81612" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.9314E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.4" />
+  <B value="-5.0307E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1195" />
+  <B value="0.26367" />
+  <C value="437.86" />
+  <D value="0.25231" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="437.85" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.84" />
+  <B value="-4659.2" />
+  <C value="-6.4137" />
+  <D value="0.0000057727" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="437.85" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3679E+08" />
+  <B value="9.4948" />
+  <C value="-25.655" />
+  <D value="28.424" />
+  <E value="-11.603" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="423.18" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="106570" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="437.8" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109050" />
+  <B value="-31.645" />
+  <C value="7.7783" />
+  <D value="0.0084684" />
+  <E value="0.0000041202" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="291.87" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60571" />
+  <B value="-557.18" />
+  <C value="12.079" />
+  <D value="0.00048084" />
+  <E value="-1.7581E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.11781" />
+  <B value="-82.964" />
+  <C value="-11.583" />
+  <D value="116.91" />
+  <E value="-410.44" />
+  <Tmin units="K"  value="218.9" />
+  <Tmax units="K"  value="1751.2" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.138" />
+  <B value="628.05" />
+  <C value="0.042345" />
+  <D value="-2.0281E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9661E-07" />
+  <B value="0.6716" />
+  <C value="174.02" />
+  <D value="-2778.1" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029003" />
+  <B value="34.124" />
+  <C value="-1.9356" />
+  <D value="0.0010295" />
+  <E value="-0.0000079939" />
+  <Tmin units="K"  value="123.15" />
+  <Tmax units="K"  value="393.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021058" />
+  <B value="0.94472" />
+  <C value="515.36" />
+  <D value="8108.3" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010165" />
+  <B value="66.837" />
+  <C value="-3.7084" />
+  <D value="0.0031429" />
+  <E value="-0.000012741" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="423.18" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="33324" />
+  <B value="178.7" />
+  <C value="0.14991" />
+  <D value="-0.00027712" />
+  <E value="1.1067E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.812" />
+  <B value="2153.4" />
+  <C value="-48.579" />
+  <Tmin units="K"  value="265.35" />
+  <Tmax units="K"  value="393.94" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.3262" />
+  <B value="-0.012074" />
+  <Tmin units="K"  value="160" />
+  <Tmax units="K"  value="300" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.218857" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.502528E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="246.3936" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="72.28999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.44235" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0306623" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.705396" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.236" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.08585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7205" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.476" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.534" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.236" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15370" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.08585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="540-67-0" />
+<Smiles name="SMILES"  value="COCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1408" />
+<CompoundID name="Name"  value="Methyl n-propyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH2CH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="472" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3801000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.274" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.265" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="312.29" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="123.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.97" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00289599" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.1216" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1032" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.276999" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.12326E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0515" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.379E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.108E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="352000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7670000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89511" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.517E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.416" />
+  <B value="-0.014383" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.59" />
+  <Tmax units="K"  value="133.97" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1427" />
+  <B value="0.28927" />
+  <C value="472" />
+  <D value="0.3185" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.81269" />
+  <B value="-4968.626" />
+  <C value="-5.703041" />
+  <D value="3.962175E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="476.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.425282E+07" />
+  <B value="0.586164" />
+  <C value="-0.378014" />
+  <D value="0.582618" />
+  <E value="-0.440041" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-9510.5" />
+  <B value="1023.7" />
+  <C value="0.15873" />
+  <D value="-0.038206" />
+  <E value="0.00015489" />
+  <Tmin units="K"  value="15.99" />
+  <Tmax units="K"  value="127.29" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="136920" />
+  <B value="43.97" />
+  <C value="5.0864" />
+  <D value="0.024992" />
+  <E value="-0.000027384" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93668" />
+  <B value="-926.82" />
+  <C value="13.189" />
+  <D value="-0.0004818" />
+  <E value="0.000000144" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17308" />
+  <B value="-175.69" />
+  <C value="-17.924" />
+  <D value="-525.83" />
+  <E value="-815.37" />
+  <Tmin units="K"  value="238.12" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.301" />
+  <B value="802.09" />
+  <C value="0.054938" />
+  <D value="-4.1844E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0896E-07" />
+  <B value="0.78578" />
+  <C value="98.829" />
+  <D value="-6562.3" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0079788" />
+  <B value="3.9001" />
+  <C value="-1.4224" />
+  <D value="-0.0010693" />
+  <E value="-0.0000025315" />
+  <Tmin units="K"  value="123.15" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.010718" />
+  <B value="0.485" />
+  <C value="2083.9" />
+  <D value="283110" />
+  <Tmin units="K"  value="312.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012651" />
+  <B value="20.99" />
+  <C value="-2.9043" />
+  <D value="-0.00049586" />
+  <E value="-0.0000059519" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="458.24" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="29023" />
+  <B value="312.2" />
+  <C value="-0.087621" />
+  <D value="-0.0000082831" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.939" />
+  <B value="2550.9" />
+  <C value="-41.081" />
+  <Tmin units="K"  value="284.01" />
+  <Tmax units="K"  value="422.21" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3078" />
+  <B value="-0.017264" />
+  <Tmin units="K"  value="133.97" />
+  <Tmax units="K"  value="312.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.964859E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.5475" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.265" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.72462" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372251" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.733812" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.276999" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1032" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3949" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.016" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-1.6721" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.276999" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1032" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="557-17-5" />
+<Smiles name="SMILES"  value="COCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1409" />
+<CompoundID name="Name"  value="Isopropyl butyl ether" />
+<StructureFormula name="Structure"  value="C4H9OCH(CH3)2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="549" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="378.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0337504" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.201" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.155791" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.403229" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.475E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08218" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.158E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.269E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.071E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="450200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.22E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.324E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.3504" />
+  <B value="-0.0064933" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72" />
+  <Tmax units="K"  value="180" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.62258" />
+  <B value="0.27082" />
+  <C value="549" />
+  <D value="0.30735" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.99635" />
+  <B value="-7315.405" />
+  <C value="-9.426402" />
+  <D value="5.236755E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2177E+07" />
+  <B value="0.38027" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="210610" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="549" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="200760" />
+  <B value="-0.77126" />
+  <C value="8.116" />
+  <D value="0.0093067" />
+  <E value="-0.00000176" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="411.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76973" />
+  <B value="-443.41" />
+  <C value="12.925" />
+  <D value="0.00032949" />
+  <E value="-1.1644E-07" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28425" />
+  <B value="-304.18" />
+  <C value="-51.293" />
+  <D value="-5929.1" />
+  <E value="1171.2" />
+  <Tmin units="K"  value="274.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.496" />
+  <B value="1171.6" />
+  <C value="0.0066892" />
+  <D value="-1.6659E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="382.3" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000000176" />
+  <B value="0.70157" />
+  <C value="181.76" />
+  <D value="-5946.4" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10095" />
+  <B value="17.355" />
+  <C value="-1.4146" />
+  <D value="-0.000082157" />
+  <E value="-0.0000014735" />
+  <Tmin units="K"  value="164.7" />
+  <Tmax units="K"  value="439.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016013" />
+  <B value="0.96562" />
+  <C value="574.46" />
+  <D value="18419" />
+  <Tmin units="K"  value="382.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0073125" />
+  <B value="68.441" />
+  <C value="-3.6554" />
+  <D value="0.0016795" />
+  <E value="-0.0000077692" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="549" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-16950" />
+  <B value="793.92" />
+  <C value="-0.50277" />
+  <D value="0.00012845" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.893" />
+  <B value="2954" />
+  <C value="-66.624" />
+  <Tmin units="K"  value="335.37" />
+  <Tmax units="K"  value="490.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4944" />
+  <B value="-0.016265" />
+  <Tmin units="K"  value="180" />
+  <Tmax units="K"  value="382.3" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.447711" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.086625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="284.7026" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="154.37" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0580587" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.755446" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.403229" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.155791" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.4173" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.632" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.403229" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.155791" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="27"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="29"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="27"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="3" />
+  <group id="26"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="1860-27-1" />
+<Smiles name="SMILES"  value="CCCCOC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1410" />
+<CompoundID name="Name"  value="Methyl isobutyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH2CH(CH3)CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="497" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="331.7" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.121242" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.307786" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.608E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06172" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.88E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.66E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.07E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.122E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.4" />
+  <B value="-2.3039E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.83514" />
+  <B value="0.27544" />
+  <C value="497" />
+  <D value="0.27525" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="67.83965" />
+  <B value="-5584.772" />
+  <C value="-6.90156" />
+  <D value="5.177794E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.281E+07" />
+  <B value="0.34436" />
+  <C value="0.050812" />
+  <D value="-0.029168" />
+  <E value="0.014527" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="158590" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="497" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="156890" />
+  <B value="481.87" />
+  <C value="3.1798" />
+  <D value="0.023292" />
+  <E value="-0.000015219" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="370" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84480" />
+  <B value="-573.48" />
+  <C value="12.645" />
+  <D value="0.00036001" />
+  <E value="-1.6026E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20282" />
+  <B value="-209.23" />
+  <C value="-25.747" />
+  <D value="-401.68" />
+  <E value="-2768.2" />
+  <Tmin units="K"  value="248.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-6.5049" />
+  <B value="776.05" />
+  <C value="-0.79051" />
+  <D value="0.0000029469" />
+  <E value="2" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="331.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.7344E-07" />
+  <B value="0.65828" />
+  <C value="203.42" />
+  <D value="-5560.1" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1664" />
+  <B value="6.1773" />
+  <C value="-1.0308" />
+  <D value="-0.0004394" />
+  <E value="-9.9213E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="390" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016088" />
+  <B value="0.97231" />
+  <C value="471.48" />
+  <D value="30281" />
+  <Tmin units="K"  value="331.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010965" />
+  <B value="36.367" />
+  <C value="-3.3144" />
+  <D value="0.00071793" />
+  <E value="-0.0000066621" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9865.2" />
+  <B value="481.23" />
+  <C value="-0.22823" />
+  <D value="0.000035281" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.621" />
+  <B value="3058" />
+  <C value="-30.223" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="497" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2832" />
+  <B value="-0.016308" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="331.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.330209" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.144609E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="299.032" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0437951" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.738166" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.307786" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121242" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0685" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.552" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.307786" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.121242" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="625-44-5" />
+<Smiles name="SMILES"  value="COCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1411" />
+<CompoundID name="Name"  value="Methyl isopropyl ether" />
+<StructureFormula name="Structure"  value="CH3OCH(CH3)2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="464.48" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3762000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.276" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="303.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="127.93" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="127.93" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00332352" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="74.1216" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1046" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.26555" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.125E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15160" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.16E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05149" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.53E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.52E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.209E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5850000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88228" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5311E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.275" />
+  <B value="-0.014925" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.17" />
+  <Tmax units="K"  value="127.93" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.82094" />
+  <B value="0.24798" />
+  <C value="464.48" />
+  <D value="0.26184" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="61.57822" />
+  <B value="-4874.158" />
+  <C value="-6.034163" />
+  <D value="5.097159E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="464.48" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.2811E+07" />
+  <B value="1.2196" />
+  <C value="-2.6572" />
+  <D value="3.1706" />
+  <E value="-1.3477" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14239" />
+  <B value="1522.1" />
+  <C value="-10.372" />
+  <D value="0.040411" />
+  <E value="-0.000026641" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="127.93" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="123760" />
+  <B value="190.2" />
+  <C value="5.9878" />
+  <D value="0.016259" />
+  <E value="-0.000010176" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="342.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84263" />
+  <B value="-798.1" />
+  <C value="12.945" />
+  <D value="-0.00018216" />
+  <E value="3.6316E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17001" />
+  <B value="-169.64" />
+  <C value="-16.164" />
+  <D value="-375.05" />
+  <E value="-728.91" />
+  <Tmin units="K"  value="232.24" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.884" />
+  <B value="730.8" />
+  <C value="-0.038881" />
+  <D value="2.6764E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="303.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9275E-07" />
+  <B value="0.70897" />
+  <C value="109.56" />
+  <D value="-107.54" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21567" />
+  <B value="5.2547" />
+  <C value="-0.85956" />
+  <D value="-0.00045627" />
+  <E value="-9.7493E-07" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="370" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.3675" />
+  <B value="-0.14071" />
+  <C value="1446.2" />
+  <D value="3030500" />
+  <Tmin units="K"  value="303.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012657" />
+  <B value="18.015" />
+  <C value="-2.9804" />
+  <D value="-0.00052011" />
+  <E value="-0.0000057032" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="446.77" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23278" />
+  <B value="335.74" />
+  <C value="-0.1205" />
+  <D value="0.0000088148" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.025" />
+  <B value="2524.7" />
+  <C value="-38.36" />
+  <Tmin units="K"  value="287.35" />
+  <Tmax units="K"  value="411.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5841" />
+  <B value="-0.01794" />
+  <Tmin units="K"  value="127.93" />
+  <Tmax units="K"  value="303.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.273919" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.872801E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.5273" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="92.81" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0366241" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724137" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.26555" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1046" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3941" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.012" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.26555" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15160" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1046" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="27"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="24"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="598-53-8" />
+<Smiles name="SMILES"  value="COC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1428" />
+<CompoundID name="Name"  value="Tert-butyl ethyl ether" />
+<StructureFormula name="Structure"  value="(CH3)3COCH2CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="512" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3149000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.382" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="345.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="179.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.880264" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.175" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.138991" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.295672" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.825E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14800" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07194" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.043E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.165E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.217E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="397500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9530000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.96475" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.626" />
+  <B value="-0.0074141" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="71.66" />
+  <Tmax units="K"  value="179.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.74373" />
+  <B value="0.27619" />
+  <C value="512" />
+  <D value="0.30602" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="59.92213" />
+  <B value="-5564.171" />
+  <C value="-5.601322" />
+  <D value="3.389291E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="514" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5825E+07" />
+  <B value="0.349787" />
+  <C value="0.137025" />
+  <D value="-0.301886" />
+  <E value="0.219717" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="184600" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="512" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135520" />
+  <B value="9.8807" />
+  <C value="8.6914" />
+  <D value="0.01077" />
+  <E value="-0.0000076034" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="377" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78915" />
+  <B value="-487.03" />
+  <C value="12.843" />
+  <D value="0.00025385" />
+  <E value="-8.879E-08" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23521" />
+  <B value="-254.66" />
+  <C value="-30.796" />
+  <D value="-1091.5" />
+  <E value="-2460.3" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.011" />
+  <B value="1089.8" />
+  <C value="0.081011" />
+  <D value="-2.1688E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="345.95" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9715E-07" />
+  <B value="0.697" />
+  <C value="171.3" />
+  <D value="-4885.5" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1316" />
+  <B value="11.716" />
+  <C value="-1.2478" />
+  <D value="-0.00024672" />
+  <E value="-0.0000012519" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="404.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000058788" />
+  <B value="1.0907" />
+  <C value="235.7" />
+  <D value="33150" />
+  <Tmin units="K"  value="345.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0097534" />
+  <B value="59.145" />
+  <C value="-3.4319" />
+  <D value="0.0013727" />
+  <E value="-0.0000078881" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="496.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-8811.5" />
+  <B value="674.5" />
+  <C value="-0.41693" />
+  <D value="0.00010398" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.712" />
+  <B value="2624.2" />
+  <C value="-60.279" />
+  <Tmin units="K"  value="310" />
+  <Tmax units="K"  value="453.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8175" />
+  <B value="-0.016919" />
+  <Tmin units="K"  value="179.15" />
+  <Tmax units="K"  value="345.95" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.387974" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.458278E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.0571" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0518272" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.747248" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.295672" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.138991" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7422" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.172" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.886894" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.04628" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.295672" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14800" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.138991" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="637-92-3" />
+<Smiles name="SMILES"  value="CCOC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1430" />
+<CompoundID name="Name"  value="Ethyl tert-pentyl ether" />
+<StructureFormula name="Structure"  value="C2H5C(CH3)2OC2H5" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="544" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2740000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.729523" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.201" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.152635" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.338192" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.071E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08217" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.178E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.324E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.094E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="439200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.32E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.4008" />
+  <B value="-0.0061847" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76" />
+  <Tmax units="K"  value="190" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65888" />
+  <B value="0.27797" />
+  <C value="544" />
+  <D value="0.29227" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="47.12433" />
+  <B value="-5006.625" />
+  <C value="-3.892102" />
+  <D value="0.0000058438" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="546" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.448049E+07" />
+  <B value="2.475757" />
+  <C value="-5.830862" />
+  <D value="5.958177" />
+  <E value="-2.135539" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="210610" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="544" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-79604" />
+  <B value="-398.25" />
+  <C value="15.392" />
+  <D value="-0.0067505" />
+  <E value="0.0000071337" />
+  <Tmin units="K"  value="272" />
+  <Tmax units="K"  value="520" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="119820" />
+  <B value="-647.93" />
+  <C value="13.251" />
+  <D value="-0.00004893" />
+  <E value="2.8951E-09" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26473" />
+  <B value="-291.19" />
+  <C value="-50.413" />
+  <D value="-1429" />
+  <E value="-7779.1" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.435" />
+  <B value="1134.3" />
+  <C value="-0.0102" />
+  <D value="2.552E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="374.57" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2029E-07" />
+  <B value="0.7552" />
+  <C value="122.76" />
+  <D value="-2833.2" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13805" />
+  <B value="13.252" />
+  <C value="-1.2618" />
+  <D value="-0.00018101" />
+  <E value="-0.0000010967" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="435.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013295" />
+  <B value="0.98504" />
+  <C value="431.52" />
+  <D value="34060" />
+  <Tmin units="K"  value="374.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012045" />
+  <B value="51.27" />
+  <C value="-3.2868" />
+  <D value="0.00081088" />
+  <E value="-0.0000057636" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="527.26" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2299.7" />
+  <B value="719.3" />
+  <C value="-0.404" />
+  <D value="0.000086601" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.218" />
+  <B value="3203.1" />
+  <C value="-44.232" />
+  <Tmin units="K"  value="327.25" />
+  <Tmax units="K"  value="471.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9477" />
+  <B value="-0.015403" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="374.57" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.447652" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.714488E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.6635" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="154.37" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0585327" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.76996" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.338192" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.152635" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.4166" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.712" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.338192" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14970" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.152635" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="2"  value="2" />
+  <group id="4"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="919-94-8" />
+<Smiles name="SMILES"  value="CCC(C)(C)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1447" />
+<CompoundID name="Name"  value="Butyl vinyl ether" />
+<StructureFormula name="Structure"  value="C4H9OCHCH2" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="540.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.38362" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="367.131" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.134811" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.163" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.130251" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.358" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16460" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.16955E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0684699" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.71E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.83E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.61974E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="428000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.38E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.10759" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.59144E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.146" />
+  <B value="-0.0067994" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.46" />
+  <Tmax units="K"  value="181.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.51202" />
+  <B value="0.22443" />
+  <C value="540.5" />
+  <D value="0.25269" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="517.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="80.48089" />
+  <B value="-6835.53" />
+  <C value="-8.641032" />
+  <D value="5.192611E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9857E+07" />
+  <B value="1.4054" />
+  <C value="-2.9112" />
+  <D value="3.3585" />
+  <E value="-1.4378" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="177040" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="540.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="179060" />
+  <B value="294.15" />
+  <C value="4.464" />
+  <D value="0.023293" />
+  <E value="-0.000021892" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70271" />
+  <B value="-440.11" />
+  <C value="12.531" />
+  <D value="0.00054467" />
+  <E value="-2.1666E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2416" />
+  <B value="-256" />
+  <C value="-40.57" />
+  <D value="859.83" />
+  <E value="-11281" />
+  <Tmin units="K"  value="268" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.973" />
+  <B value="1139.1" />
+  <C value="0.44727" />
+  <D value="-0.0000011861" />
+  <E value="2" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4315E-08" />
+  <B value="0.78571" />
+  <C value="41.584" />
+  <D value="9100.4" />
+  <Tmin units="K"  value="366.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13174" />
+  <B value="16.987" />
+  <C value="-1.2513" />
+  <D value="-0.000050242" />
+  <E value="-0.000001447" />
+  <Tmin units="K"  value="160.8" />
+  <Tmax units="K"  value="420.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002407" />
+  <B value="1.1842" />
+  <C value="65.04" />
+  <D value="40153" />
+  <Tmin units="K"  value="366.97" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010113" />
+  <B value="61.945" />
+  <C value="-3.4261" />
+  <D value="0.0012947" />
+  <E value="-0.0000069057" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="536" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6738" />
+  <B value="536.06" />
+  <C value="-0.27187" />
+  <D value="0.000047059" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.122" />
+  <B value="2983.4" />
+  <C value="-56.28" />
+  <Tmin units="K"  value="330.56" />
+  <Tmax units="K"  value="479.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9306" />
+  <B value="-0.015656" />
+  <Tmin units="K"  value="181.15" />
+  <Tmax units="K"  value="366.97" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.368168" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.438977E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="329.5296" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.273" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="131.54" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.78288" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0496357" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.791941" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.358" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.130251" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.7403" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.192" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.50681" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.358" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16460" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.130251" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="5"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="5"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-34-2" />
+<Smiles name="SMILES"  value="CCCCOC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1461" />
+<CompoundID name="Name"  value="Anisole" />
+<StructureFormula name="Structure"  value="C6H5OCH3" />
+<Family name="Family"  value="62" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="642.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.337" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.267" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="426.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="235.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.44662" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.138" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.109167" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.350169" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.719E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06321" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.02E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.8E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.27E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="361000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9600000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.97849" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.6018E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.268" />
+  <B value="-0.0057985" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="94.26" />
+  <Tmax units="K"  value="235.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.67524" />
+  <B value="0.24431" />
+  <C value="645.61" />
+  <D value="0.26239" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="645.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="117.0581" />
+  <B value="-9318.991" />
+  <C value="-14.12565" />
+  <D value="9.850515E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="645.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.1782E+07" />
+  <B value="0.29654" />
+  <C value="0.81637" />
+  <D value="-1.3762" />
+  <E value="0.64684" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="624.02" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="25569" />
+  <B value="-54.962" />
+  <C value="8.9953" />
+  <D value="-0.053617" />
+  <E value="0.00010624" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="235.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128070" />
+  <B value="-77.615" />
+  <C value="10.002" />
+  <D value="0.0059631" />
+  <E value="-0.0000043683" />
+  <Tmin units="K"  value="245.2" />
+  <Tmax units="K"  value="484.2" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-116340" />
+  <B value="-170.41" />
+  <C value="12.829" />
+  <D value="0.00034368" />
+  <E value="-1.0767E-07" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24272" />
+  <B value="-330.37" />
+  <C value="-37.811" />
+  <D value="-176890" />
+  <E value="557310" />
+  <Tmin units="K"  value="366.91" />
+  <Tmax units="K"  value="1760.88" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.864" />
+  <B value="1572.6" />
+  <C value="0.82898" />
+  <D value="-2.2828E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="426.73" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7587E-07" />
+  <B value="0.71998" />
+  <C value="171.18" />
+  <D value="1705.8" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15959" />
+  <B value="21.142" />
+  <C value="-1.1373" />
+  <D value="-0.0000023738" />
+  <E value="-0.0000009757" />
+  <Tmin units="K"  value="192.5" />
+  <Tmax units="K"  value="512.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00055356" />
+  <B value="0.7624" />
+  <C value="342.48" />
+  <D value="235670" />
+  <Tmin units="K"  value="426.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01028" />
+  <B value="76.185" />
+  <C value="-3.3574" />
+  <D value="0.001879" />
+  <E value="-0.0000062433" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="624.02" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-76587" />
+  <B value="835.59" />
+  <C value="-0.72557" />
+  <D value="0.00024575" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-3.251956" />
+  <B value="-2150" />
+  <C value="-12.9" />
+  <Tmin units="K"  value="278.5945" />
+  <Tmax units="K"  value="448.5945" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.389" />
+  <B value="3602.4" />
+  <C value="-61.82" />
+  <Tmin units="K"  value="385.45" />
+  <Tmax units="K"  value="568.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2274" />
+  <B value="-0.012042" />
+  <Tmin units="K"  value="235.65" />
+  <Tmax units="K"  value="426.73" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.338527" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.333466E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="361.4017" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.267" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="117.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0469574" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.999625" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.350169" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109167" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1667" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.208" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.350169" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109167" />
+<UnifacVLE name="UNIFAC" >
+  <group id="25"  value="1" />
+  <group id="11"  value="1" />
+  <group id="10"  value="5" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="27"  value="1" />
+  <group id="10"  value="1" />
+  <group id="9"  value="5" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="25"  value="1" />
+  <group id="11"  value="1" />
+  <group id="10"  value="5" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="24"  value="1" />
+  <group id="10"  value="1" />
+  <group id="9"  value="5" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-66-3" />
+<Smiles name="SMILES"  value="c1ccccc1(OC)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1319" />
+<CompoundID name="Name"  value="Isopropyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH(CH3)2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="516.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3495640" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.343881" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.8692" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.132" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.117579" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.542817" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.679E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17150" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06299" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.13E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.817E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.337E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="390200" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8880000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.28" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.658E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.073" />
+  <B value="-0.0067629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.9" />
+  <Tmax units="K"  value="199.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.7447" />
+  <B value="0.38746" />
+  <C value="516.15" />
+  <D value="0.46246" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="53.596" />
+  <B value="-5675.5" />
+  <C value="-4.5065" />
+  <D value="0.0000012831" />
+  <E value="2" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="532" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.852874E+07" />
+  <B value="0.139799" />
+  <C value="0.87492" />
+  <D value="-1.379465" />
+  <E value="0.721356" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="156890" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="516.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="131390" />
+  <B value="-46.486" />
+  <C value="8.1047" />
+  <D value="0.013597" />
+  <E value="-0.000010999" />
+  <Tmin units="K"  value="215.75" />
+  <Tmax units="K"  value="478.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49388" />
+  <B value="-461.23" />
+  <C value="12.886" />
+  <D value="-0.00010674" />
+  <E value="6.959E-08" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22372" />
+  <B value="-237.39" />
+  <C value="-36.602" />
+  <D value="-8696.2" />
+  <E value="11115" />
+  <Tmin units="K"  value="266" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.895" />
+  <B value="1115.7" />
+  <C value="-0.084451" />
+  <D value="4.8399E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="361.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.7177E-07" />
+  <B value="0.62086" />
+  <C value="249.31" />
+  <D value="-266.55" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.09612" />
+  <B value="7.576" />
+  <C value="-1.2028" />
+  <D value="-0.00070085" />
+  <E value="-9.2097E-07" />
+  <Tmin units="K"  value="161.4" />
+  <Tmax units="K"  value="421.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5913400" />
+  <B value="-0.12076" />
+  <C value="3.6992E+09" />
+  <D value="-2.5996E+13" />
+  <Tmin units="K"  value="361.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048741" />
+  <B value="363.65" />
+  <C value="-7.1258" />
+  <D value="0.0151" />
+  <E value="-0.000025128" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="514.51" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-29200" />
+  <B value="680.9" />
+  <C value="-0.52361" />
+  <D value="0.00016062" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.384" />
+  <B value="3059.3" />
+  <C value="-51.328" />
+  <Tmin units="K"  value="312.04" />
+  <Tmax units="K"  value="462.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9628" />
+  <B value="-0.015227" />
+  <Tmin units="K"  value="199.75" />
+  <Tmax units="K"  value="361.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.337297" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.900063E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="229.2309" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="114.82" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0449492" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.881001" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.367774" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.117579" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1522" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.652" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.367774" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17150" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.117579" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="3"  value="1" />
+  <group id="18"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-21-4" />
+<Smiles name="SMILES"  value="CC(=O)OC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1315" />
+<CompoundID name="Name"  value="N-butyl acetate" />
+<StructureFormula name="Structure"  value="CH3COO(CH2)3CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="579" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3090000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4128" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.12" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="199.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="199.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0816516" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13251" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.407" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.28E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07323" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.049E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.856E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.123E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442500" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.283E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.567" />
+  <B value="-0.0057964" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="79.86" />
+  <Tmax units="K"  value="199.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.13588" />
+  <B value="0.1193" />
+  <C value="579" />
+  <D value="0.16305" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.42793" />
+  <B value="-7625.342" />
+  <C value="-10.22284" />
+  <D value="8.987208E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.192574E+07" />
+  <B value="1.151594" />
+  <C value="0.0889674" />
+  <D value="-1.859865" />
+  <E value="1.113952" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182900" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="579" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="201710" />
+  <B value="-19.025" />
+  <C value="8.0191" />
+  <D value="0.0068889" />
+  <E value="0.0000021505" />
+  <Tmin units="K"  value="202.7" />
+  <Tmax units="K"  value="461.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92876" />
+  <B value="-666.17" />
+  <C value="13.432" />
+  <D value="-0.00066148" />
+  <E value="3.0678E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22835" />
+  <B value="-267.19" />
+  <C value="-64.731" />
+  <D value="-23119" />
+  <E value="30658" />
+  <Tmin units="K"  value="289.5" />
+  <Tmax units="K"  value="1737" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-17.008" />
+  <B value="1461.1" />
+  <C value="0.8424" />
+  <D value="1.1193E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="399.26" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0488E-07" />
+  <B value="0.76809" />
+  <C value="52.337" />
+  <D value="8271.1" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.04366" />
+  <B value="-125.65" />
+  <C value="-0.40686" />
+  <D value="-0.0059305" />
+  <E value="0.0000024167" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="463.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="5.9364E-09" />
+  <B value="2.3739" />
+  <C value="-402.22" />
+  <D value="69606" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="800" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016732" />
+  <B value="17.559" />
+  <C value="-2.7905" />
+  <D value="-0.00064121" />
+  <E value="-0.0000029118" />
+  <Tmin units="K"  value="199.65" />
+  <Tmax units="K"  value="575.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22630" />
+  <B value="742.91" />
+  <C value="-0.55184" />
+  <D value="0.0001701" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.114462" />
+  <B value="-2550" />
+  <C value="-15.3" />
+  <Tmin units="K"  value="273.0389" />
+  <Tmax units="K"  value="443.0389" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.225" />
+  <B value="3242.2" />
+  <C value="-64.854" />
+  <Tmin units="K"  value="349.03" />
+  <Tmax units="K"  value="516.07" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.8704" />
+  <B value="-0.011433" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="399.26" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.39539" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.229034E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.4266" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="135.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0528122" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.885234" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.407" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13251" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.8274" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.196" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.407" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17670" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13251" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="123-86-4" />
+<Smiles name="SMILES"  value="CC(=O)OCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1316" />
+<CompoundID name="Name"  value="Isobutyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2CH(CH3)2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="561" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.413" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="389.72" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="174.3" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="174.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00622415" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.16" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.13387" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.456" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.276E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.24E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07322" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.048E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.93E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.222E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="441000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.24E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.319E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.68" />
+  <B value="-0.0067015" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="69.72" />
+  <Tmax units="K"  value="174.3" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.40843" />
+  <B value="0.20784" />
+  <C value="561" />
+  <D value="0.21394" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="28.45261" />
+  <B value="-5051.537" />
+  <C value="-0.615949" />
+  <D value="-1.95606E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="561.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.408651E+07" />
+  <B value="1.313221" />
+  <C value="-1.992233" />
+  <D value="1.203843" />
+  <E value="-0.0654865" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="182900" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="561" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="161610" />
+  <B value="660.76" />
+  <C value="3.3098" />
+  <D value="0.024476" />
+  <E value="-0.000019195" />
+  <Tmin units="K"  value="211.01" />
+  <Tmax units="K"  value="504.72" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100140" />
+  <B value="-654.65" />
+  <C value="13.176" />
+  <D value="-0.00017464" />
+  <E value="3.2068E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1400.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25768" />
+  <B value="-273.28" />
+  <C value="-54.487" />
+  <D value="-16133" />
+  <E value="20909" />
+  <Tmin units="K"  value="280.4" />
+  <Tmax units="K"  value="1792.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.1351" />
+  <B value="566.94" />
+  <C value="-0.24427" />
+  <D value="-0.0000078548" />
+  <E value="2" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="389.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0879E-07" />
+  <B value="0.78101" />
+  <C value="111.13" />
+  <D value="1059.5" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.070874" />
+  <B value="405.28" />
+  <C value="-7.1892" />
+  <D value="0.020474" />
+  <E value="-0.000033831" />
+  <Tmin units="K"  value="168.3" />
+  <Tmax units="K"  value="448.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.0010112" />
+  <B value="0.95292" />
+  <C value="-6813.9" />
+  <D value="270410" />
+  <Tmin units="K"  value="389.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01526" />
+  <B value="26.196" />
+  <C value="-3.0206" />
+  <D value="0.000089811" />
+  <E value="-0.0000040241" />
+  <Tmin units="K"  value="174.3" />
+  <Tmax units="K"  value="560.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4262.4" />
+  <B value="646.34" />
+  <C value="-0.39482" />
+  <D value="0.000090736" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1400.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.532079" />
+  <B value="-2800" />
+  <C value="-16.8" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.759" />
+  <B value="3497.1" />
+  <C value="-48.009" />
+  <Tmin units="K"  value="337.04" />
+  <Tmax units="K"  value="503.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9833" />
+  <B value="-0.011196" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="389.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.395333" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.808274E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="311.4942" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="135.34" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0520369" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.877796" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.456" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.13387" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.8266" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.192" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.456" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.13387" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-19-0" />
+<Smiles name="SMILES"  value="CC(=O)OCC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1357" />
+<CompoundID name="Name"  value="N-pentyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2(CH2)3CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.442" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="422.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="202.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="202.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0185761" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.185" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.149382" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.413866" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.772E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.44E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08346" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.184E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.055E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.035E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="481800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.65E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.089933" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.89405E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3057" />
+  <B value="-0.0050955" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.94" />
+  <Tmax units="K"  value="202.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12608" />
+  <B value="0.12252" />
+  <C value="605.15" />
+  <D value="0.16886" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="168.7214" />
+  <B value="-11229.65" />
+  <C value="-22.11732" />
+  <D value="0.0000177213" />
+  <E value="2" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="600" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.883914E+07" />
+  <B value="0.946213" />
+  <C value="-0.171734" />
+  <D value="-0.730153" />
+  <E value="0.419139" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208910" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="605.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="162580" />
+  <B value="80.092" />
+  <C value="8.5511" />
+  <D value="0.011513" />
+  <E value="-0.0000095523" />
+  <Tmin units="K"  value="209.3" />
+  <Tmax units="K"  value="439" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47433" />
+  <B value="-339.24" />
+  <C value="12.756" />
+  <D value="0.0005476" />
+  <E value="-2.1862E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34111" />
+  <B value="-397.41" />
+  <C value="-63.466" />
+  <D value="-56487" />
+  <E value="116110" />
+  <Tmin units="K"  value="299" />
+  <Tmax units="K"  value="1913" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-24.376" />
+  <B value="1661.3" />
+  <C value="2.1378" />
+  <D value="-0.0000051198" />
+  <E value="2" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="480" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.6095E-07" />
+  <B value="0.57889" />
+  <C value="337.64" />
+  <D value="-259.28" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.08346" />
+  <B value="4.4855" />
+  <C value="-1.2866" />
+  <D value="-0.00064282" />
+  <E value="-6.6262E-07" />
+  <Tmin units="K"  value="179.4" />
+  <Tmax units="K"  value="469.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.014827" />
+  <B value="0.47704" />
+  <C value="-3337.4" />
+  <D value="-1003300" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012757" />
+  <B value="49.233" />
+  <C value="-3.1535" />
+  <D value="0.00024702" />
+  <E value="-0.000004004" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="599.9" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18598" />
+  <B value="795.27" />
+  <C value="-0.51713" />
+  <D value="0.00013022" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.762874" />
+  <B value="-3450" />
+  <C value="-20.7" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.171" />
+  <B value="4226.8" />
+  <C value="-24.15" />
+  <Tmin units="K"  value="364.25" />
+  <Tmax units="K"  value="538.65" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0509" />
+  <B value="-0.012995" />
+  <Tmin units="K"  value="202.35" />
+  <Tmax units="K"  value="480" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.455324" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.686343E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.9046" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="155.86" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0596961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880404" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.413866" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.149382" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.5018" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.447773" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17360" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.149382" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="628-63-7" />
+<Smiles name="SMILES"  value="CC(=O)OCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1321" />
+<CompoundID name="Name"  value="Vinyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCHCH2" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="501.45" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.266" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="345.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.70586" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0929486" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.529352" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.969E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18580" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04928" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.26E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.157E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.287E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="334400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5370000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.28" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.95E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.585" />
+  <B value="-0.0095513" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.14" />
+  <Tmax units="K"  value="180.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.80837" />
+  <B value="0.2388" />
+  <C value="524.34" />
+  <D value="0.25151" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="524.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-28.90631" />
+  <B value="-2451.071" />
+  <C value="8.43748" />
+  <D value="-0.000014969" />
+  <E value="2" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="519.13" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.178411E+07" />
+  <B value="1.329393" />
+  <C value="-3.127105" />
+  <D value="3.542901" />
+  <E value="-1.384803" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="501.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="115760" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="501.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104670" />
+  <B value="68.241" />
+  <C value="7.8309" />
+  <D value="0.01301" />
+  <E value="-0.00001011" />
+  <Tmin units="K"  value="213.41" />
+  <Tmax units="K"  value="389.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50651" />
+  <B value="-432.89" />
+  <C value="12.118" />
+  <D value="0.00048734" />
+  <E value="-1.8964E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18283" />
+  <B value="-191.61" />
+  <C value="-27.209" />
+  <D value="-6457.2" />
+  <E value="8397.1" />
+  <Tmin units="K"  value="259.56" />
+  <Tmax units="K"  value="1890.57" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.187" />
+  <B value="1398" />
+  <C value="1.3362" />
+  <D value="8.2076E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="345.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4727E-07" />
+  <B value="0.76076" />
+  <C value="119.27" />
+  <D value="67.359" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.068153" />
+  <B value="28.848" />
+  <C value="-1.5016" />
+  <D value="0.00051317" />
+  <E value="-0.0000030057" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="410" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-5281900" />
+  <B value="-0.16154" />
+  <C value="2.8419E+09" />
+  <D value="-1.7045E+13" />
+  <Tmin units="K"  value="276.09" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0044907" />
+  <B value="310.64" />
+  <C value="-6.6728" />
+  <D value="0.014871" />
+  <E value="-0.000027076" />
+  <Tmin units="K"  value="180.35" />
+  <Tmax units="K"  value="501.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21072" />
+  <B value="300.62" />
+  <C value="-0.12074" />
+  <D value="0.000010448" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.328" />
+  <B value="2885.8" />
+  <C value="-51.534" />
+  <Tmin units="K"  value="301.95" />
+  <Tmax units="K"  value="447.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1171" />
+  <B value="-0.012291" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="345.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.261926" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.395338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="216.355" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="89.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0355767" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.941" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.351307" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0929486" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2485" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.904" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.351307" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18580" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0929486" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-05-4" />
+<Smiles name="SMILES"  value="CC(=O)OC=C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1363" />
+<CompoundID name="Name"  value="N-hexyl acetate" />
+<StructureFormula name="Structure"  value="CH3COOCH2(CH2)4CH3" />
+<Family name="Family"  value="56" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="623.5" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.519" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.25" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.25" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000851561" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="144.211" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.166008" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.461433" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.16E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.09369" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.319E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.263E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.954E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="520900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.69E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.17" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.505E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.5065" />
+  <B value="-0.0055309" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.9" />
+  <Tmax units="K"  value="192.25" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.39801" />
+  <B value="0.22828" />
+  <C value="623.5" />
+  <D value="0.26879" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="595.59" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="135.2" />
+  <B value="-10778" />
+  <C value="-16.633" />
+  <D value="0.000010146" />
+  <E value="2" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.6365E+07" />
+  <B value="1.3535" />
+  <C value="-2.7266" />
+  <D value="3.0189" />
+  <E value="-1.2516" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="234920" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="623.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152410" />
+  <B value="849.23" />
+  <C value="3.575" />
+  <D value="0.024024" />
+  <E value="-0.000019964" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74275" />
+  <B value="-423.1" />
+  <C value="13.088" />
+  <D value="0.00020721" />
+  <E value="-5.6794E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26575" />
+  <B value="-251.71" />
+  <C value="-141.73" />
+  <D value="30213" />
+  <E value="-150230" />
+  <Tmin units="K"  value="309" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.853" />
+  <B value="1437.9" />
+  <C value="0.03568" />
+  <D value="-1.5887E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001052" />
+  <B value="0.76244" />
+  <C value="141.7" />
+  <D value="-5217.3" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.076217" />
+  <B value="432.06" />
+  <C value="-6.6217" />
+  <D value="0.014354" />
+  <E value="-0.00002134" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="533.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-96.991" />
+  <B value="-0.0010535" />
+  <C value="51726" />
+  <D value="-1.0193E+09" />
+  <Tmin units="K"  value="444.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016381" />
+  <B value="19.416" />
+  <C value="-2.8226" />
+  <D value="-0.00062558" />
+  <E value="-0.000002447" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="618" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13149" />
+  <B value="859.66" />
+  <C value="-0.53308" />
+  <D value="0.00012944" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.124" />
+  <B value="3454.4" />
+  <C value="-83.742" />
+  <Tmin units="K"  value="380.55" />
+  <Tmax units="K"  value="550.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.9193" />
+  <B value="-0.015758" />
+  <Tmin units="K"  value="192.25" />
+  <Tmax units="K"  value="444.65" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.517431" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.148912E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="253.719" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="176.38" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0672192" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.87832" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.461433" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.166008" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1762" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.276" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.539588" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17200" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.166008" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="142-92-7" />
+<Smiles name="SMILES"  value="CCCCCCOC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1109" />
+<CompoundID name="Name"  value="1-pentanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)4OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="588.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3909000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.326" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411.16" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="194.95" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195.56" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000345245" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.15" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10863" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.579" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.679E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22520" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06263" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.98E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.0016E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.46022E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="402501" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9790560" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3176" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.06051E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.8" />
+  <B value="7.9473E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="205.06" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54137" />
+  <B value="0.21848" />
+  <C value="588.15" />
+  <D value="0.20812" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="150.9933" />
+  <B value="-11938.85" />
+  <C value="-18.59103" />
+  <D value="8.735585E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1853E+08" />
+  <B value="1.9668" />
+  <C value="-2.5741" />
+  <D value="1.6268" />
+  <E value="-0.41037" />
+  <Tmin units="K"  value="195.56" />
+  <Tmax units="K"  value="588.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15533" />
+  <B value="1421.2" />
+  <C value="-4.9071" />
+  <D value="-0.013872" />
+  <E value="0.00011092" />
+  <Tmin units="K"  value="21.61" />
+  <Tmax units="K"  value="195.56" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="151460" />
+  <B value="721.52" />
+  <C value="-3.5691" />
+  <D value="0.059604" />
+  <E value="-0.000063767" />
+  <Tmin units="K"  value="200.14" />
+  <Tmax units="K"  value="390" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78144" />
+  <B value="-573.83" />
+  <C value="12.781" />
+  <D value="0.00015431" />
+  <E value="-6.6745E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24054" />
+  <B value="-258.72" />
+  <C value="-37.585" />
+  <D value="50573" />
+  <E value="-237590" />
+  <Tmin units="K"  value="294.05" />
+  <Tmax units="K"  value="1871.1" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-29.696" />
+  <B value="3126.2" />
+  <C value="2.4167" />
+  <D value="-0.0000024327" />
+  <E value="2" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9935E-07" />
+  <B value="0.70293" />
+  <C value="200.97" />
+  <D value="-2040.7" />
+  <Tmin units="K"  value="277.39" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.14679" />
+  <B value="201570" />
+  <C value="-2097.5" />
+  <D value="7.255" />
+  <E value="-0.0083973" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="373.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1221.5" />
+  <B value="0.95117" />
+  <C value="8.0014E+09" />
+  <D value="-2.8255E+11" />
+  <Tmin units="K"  value="324.42" />
+  <Tmax units="K"  value="990.95" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.066781" />
+  <B value="-45.948" />
+  <C value="-1.8289" />
+  <D value="-0.0013347" />
+  <E value="-5.553E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="503.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="45979" />
+  <B value="140.41" />
+  <C value="0.78405" />
+  <D value="-0.0011412" />
+  <E value="4.6619E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.20079" />
+  <B value="-6950" />
+  <C value="-41.7" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.459" />
+  <B value="3044" />
+  <C value="-104.53" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="526.12" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.4416" />
+  <B value="-0.023533" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="420" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335285" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.40751E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="309.2331" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.0103" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0436411" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.819862" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.579" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10863" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5987" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.208" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.3301" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.579" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22520" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10863" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="71-41-0" />
+<Smiles name="SMILES"  value="CCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1110" />
+<CompoundID name="Name"  value="2-pentanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)2CH(OH)CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.327" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="200" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00596587" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.109448" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.674371" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.619E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.39E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06262" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.97E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.138E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.593E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="396400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8480000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.47" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0515E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.7" />
+  <B value="4.0224E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.319" />
+  <B value="0.3371" />
+  <C value="552" />
+  <D value="0.32218" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.6278" />
+  <B value="-11701.22" />
+  <C value="-19.61134" />
+  <D value="0.0000119964" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="560.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.4515E+07" />
+  <B value="0.5603" />
+  <C value="0.52669" />
+  <D value="-1.3675" />
+  <E value="0.83639" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="158590" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="552" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="223900" />
+  <B value="2827.9" />
+  <C value="-24.806" />
+  <D value="0.11426" />
+  <E value="-0.00010479" />
+  <Tmin units="K"  value="276" />
+  <Tmax units="K"  value="420.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81533" />
+  <B value="-562.17" />
+  <C value="12.749" />
+  <D value="0.00015514" />
+  <E value="-6.2807E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24133" />
+  <B value="-247.23" />
+  <C value="-35.04" />
+  <D value="43362" />
+  <E value="-173350" />
+  <Tmin units="K"  value="280.15" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-161.5575" />
+  <B value="9388.477" />
+  <C value="22.02304" />
+  <D value="-0.0000121894" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="448.24" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.2586E-07" />
+  <B value="0.63457" />
+  <C value="242.49" />
+  <D value="-572.84" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.29342" />
+  <B value="50.682" />
+  <C value="-1.2923" />
+  <D value="0.0017888" />
+  <E value="-0.0000028966" />
+  <Tmin units="K"  value="165.6" />
+  <Tmax units="K"  value="435.6" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1300.2" />
+  <B value="0.95377" />
+  <C value="8.1158E+09" />
+  <D value="-2.9211E+11" />
+  <Tmin units="K"  value="392.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.024272" />
+  <B value="-6.3975" />
+  <C value="-2.6095" />
+  <D value="-0.0005545" />
+  <E value="-0.0000026816" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="541.34" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5418.5" />
+  <B value="517.97" />
+  <C value="-0.28727" />
+  <D value="0.000060797" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.96" />
+  <B value="-6855" />
+  <C value="-41.13" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.365" />
+  <B value="2787.1" />
+  <C value="-109.05" />
+  <Tmin units="K"  value="332.74" />
+  <Tmax units="K"  value="484.45" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="5.5268" />
+  <B value="-0.036204" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="448.24" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335229" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.473307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="282.3295" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427674" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.813156" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.674371" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.109448" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5979" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.204" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.558707" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21700" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.109448" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6032-29-7" />
+<Smiles name="SMILES"  value="CCCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1112" />
+<CompoundID name="Name"  value="2-methyl-1-butanol" />
+<StructureFormula name="Structure"  value="CH3CH2CH(CH3)CH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="575.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3940000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.329" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000803" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1083" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.587733" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.437E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22080" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.27E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0593" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.484E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.0209E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.41E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="386900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7430000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.0182" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.062E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.886" />
+  <B value="-0.00826" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="195" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88123" />
+  <B value="0.27569" />
+  <C value="576.16" />
+  <D value="0.26459" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="576.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="169.4054" />
+  <B value="-12535.91" />
+  <C value="-21.44821" />
+  <D value="0.000011664" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="575.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.7446E+08" />
+  <B value="5.4789" />
+  <C value="-13.886" />
+  <D value="15.653" />
+  <E value="-6.6531" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="560.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5555.3" />
+  <B value="806.4" />
+  <C value="-0.95225" />
+  <D value="0.0022801" />
+  <E value="-0.0000033301" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="195" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="64512" />
+  <B value="-115.41" />
+  <C value="11.54" />
+  <D value="0.0018322" />
+  <E value="0.0000027168" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="401.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76232" />
+  <B value="-567.6" />
+  <C value="12.811" />
+  <D value="0.000074113" />
+  <E value="-1.3012E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17011" />
+  <B value="-182.68" />
+  <C value="-48.25" />
+  <D value="18476" />
+  <E value="-142510" />
+  <Tmin units="K"  value="287.7" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.00893998" />
+  <B value="2796.534" />
+  <C value="-2.732303" />
+  <D value="0.0000087109" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000000189" />
+  <B value="0.70643" />
+  <C value="185.92" />
+  <D value="-6046.6" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.080313" />
+  <B value="-215.29" />
+  <C value="-0.17577" />
+  <D value="-0.0076457" />
+  <E value="0.000003672" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="401.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1262.3" />
+  <B value="0.94565" />
+  <C value="7.7547E+09" />
+  <D value="-2.8418E+11" />
+  <Tmin units="K"  value="401.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.06667" />
+  <B value="21.081" />
+  <C value="-2.2968" />
+  <D value="-0.00031727" />
+  <E value="-8.1113E-07" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="555.38" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1715" />
+  <B value="532.87" />
+  <C value="-0.30305" />
+  <D value="0.000069112" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-15.47" />
+  <B value="-7815" />
+  <C value="-46.89" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.051" />
+  <B value="2696.4" />
+  <C value="-119.16" />
+  <Tmin units="K"  value="345.65" />
+  <Tmax units="K"  value="515.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.7162" />
+  <B value="-0.0329" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="453.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.316767" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.171827E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="341.643" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.2374" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0430983" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.823885" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.587733" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1083" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5979" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.204" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-6.2448" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.587733" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22080" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1083" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="137-32-6" />
+<Smiles name="SMILES"  value="OCC(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1113" />
+<CompoundID name="Name"  value="2,2-dimethyl-1-propanol" />
+<StructureFormula name="Structure"  value="(CH3)3CCH2OH" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4078000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.327" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.29" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="386.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="328.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="328.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8050" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.1482" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1255" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.595013" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.388E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19040" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06261" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.17E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.021E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.4E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="370000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3500000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1247" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.061E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9642" />
+  <B value="-0.0024076" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="242.1" />
+  <Tmax units="K"  value="328.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88741" />
+  <B value="0.29" />
+  <C value="552.7" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="552.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="192.4683" />
+  <B value="-12413.62" />
+  <C value="-25.59931" />
+  <D value="0.0000246643" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="552.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.5224E+07" />
+  <B value="-1.2435" />
+  <C value="2.138" />
+  <D value="0.13988" />
+  <E value="-0.73989" />
+  <Tmin units="K"  value="274.2" />
+  <Tmax units="K"  value="552.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="2.6373E+07" />
+  <B value="-380330" />
+  <C value="2052.3" />
+  <D value="-4.8887" />
+  <E value="0.004351" />
+  <Tmin units="K"  value="242.1" />
+  <Tmax units="K"  value="328.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="124850" />
+  <B value="368.96" />
+  <C value="4.9094" />
+  <D value="0.027472" />
+  <E value="-0.00002893" />
+  <Tmin units="K"  value="294.4" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="72294.67" />
+  <B value="-550.0374" />
+  <C value="12.86817" />
+  <D value="0.000039202" />
+  <E value="-1.255351E-08" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22295" />
+  <B value="-222.2" />
+  <C value="-30.28" />
+  <D value="12264" />
+  <E value="-130500" />
+  <Tmin units="K"  value="276.35" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.693" />
+  <B value="3446.8" />
+  <C value="-0.71456" />
+  <D value="0.0000011322" />
+  <E value="2" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000021696" />
+  <B value="0.15612" />
+  <C value="1926.2" />
+  <D value="5137.4" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.11602" />
+  <B value="10.416" />
+  <C value="-1.227" />
+  <D value="-0.00033355" />
+  <E value="-0.00000113" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="435" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="1.2842E-07" />
+  <B value="1.9773" />
+  <C value="-61.933" />
+  <D value="2946" />
+  <Tmin units="K"  value="386.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0041579" />
+  <B value="905.49" />
+  <C value="-11.129" />
+  <D value="0.02249" />
+  <E value="-0.000027579" />
+  <Tmin units="K"  value="327.15" />
+  <Tmax units="K"  value="552.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="56025" />
+  <B value="298.25" />
+  <C value="-0.0082083" />
+  <D value="-0.000042003" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.2" />
+  <B value="-4175" />
+  <C value="-25.05" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.192" />
+  <B value="2694.4" />
+  <C value="-107.63" />
+  <Tmin units="K"  value="333.15" />
+  <Tmax units="K"  value="490.57" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.1165" />
+  <B value="-0.028526" />
+  <Tmin units="K"  value="328.15" />
+  <Tmax units="K"  value="386.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.335173" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.678278E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="418.8277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.29" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="113.33" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="2.4275" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0437982" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.735646" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.595013" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1255" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5972" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.284" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-4.9571" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.595013" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1255" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-84-3" />
+<Smiles name="SMILES"  value="OCC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1114" />
+<CompoundID name="Name"  value="1-hexanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)5OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="611.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3510000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.381" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.263" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="430.44" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="228.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="228.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0295499" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.177" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12519" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.58" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.144E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0728599" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.033E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.18E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.344E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="440000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.54E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.34" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.67439E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.939" />
+  <B value="-0.00020832" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="238.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.12172" />
+  <B value="0.11263" />
+  <C value="611.4" />
+  <D value="0.13194" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="140.4065" />
+  <B value="-11996.05" />
+  <C value="-16.8497" />
+  <D value="6.25688E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9912E+07" />
+  <B value="1.0345" />
+  <C value="-0.71214" />
+  <D value="0.038869" />
+  <E value="0.22103" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19775" />
+  <B value="1482.2" />
+  <C value="-5.3111" />
+  <D value="0.0052486" />
+  <E value="0.000017593" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="200" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-13352" />
+  <B value="695.57" />
+  <C value="4.4864" />
+  <D value="0.026504" />
+  <E value="-0.000025444" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="93733" />
+  <B value="-618.92" />
+  <C value="13.098" />
+  <D value="-0.000028541" />
+  <E value="-8.6478E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28103" />
+  <B value="-313.61" />
+  <C value="-50.106" />
+  <D value="92563" />
+  <E value="-384560" />
+  <Tmin units="K"  value="305.15" />
+  <Tmax units="K"  value="1955.7" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.019" />
+  <B value="5186.5" />
+  <C value="9.8395" />
+  <D value="-0.0000094042" />
+  <E value="2" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.3121E-07" />
+  <B value="0.66402" />
+  <C value="127.06" />
+  <D value="17987" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.09203" />
+  <B value="1297.6" />
+  <C value="-15.712" />
+  <D value="0.045447" />
+  <E value="-0.000056017" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="575" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-2143900" />
+  <B value="-0.092957" />
+  <C value="1.682E+08" />
+  <D value="-1.0339E+13" />
+  <Tmin units="K"  value="290.96" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035783" />
+  <B value="66.822" />
+  <C value="-3.0656" />
+  <D value="0.00092964" />
+  <E value="-0.000002544" />
+  <Tmin units="K"  value="228.55" />
+  <Tmax units="K"  value="610.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="56405" />
+  <B value="141.84" />
+  <C value="0.99233" />
+  <D value="-0.0014257" />
+  <E value="5.8077E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.45024" />
+  <B value="-6650" />
+  <C value="-39.9" />
+  <Tmin units="K"  value="279.15" />
+  <Tmax units="K"  value="449.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.645" />
+  <B value="2705.5" />
+  <C value="-133.98" />
+  <Tmin units="K"  value="369.19" />
+  <Tmax units="K"  value="550.02" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.3202" />
+  <B value="-0.022361" />
+  <Tmin units="K"  value="243.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.393259" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.718511E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="325.8963" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.263" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0505795" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.822536" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.58" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12519" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.748" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.58" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12519" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-27-3" />
+<Smiles name="SMILES"  value="CCCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1125" />
+<CompoundID name="Name"  value="1-heptanol" />
+<StructureFormula name="Structure"  value="CH3(CH2)6OH" />
+<Family name="Family"  value="27" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="631.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.435" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="449.81" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="239.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="239.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0117728" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.203" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.14195" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.582" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.38E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0830899" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.168E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.32E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.253E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="480000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.322E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.1804" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.2887E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.68" />
+  <B value="1.2716E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="248.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53584" />
+  <B value="0.24833" />
+  <C value="632.61" />
+  <D value="0.25556" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="632.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="251.8216" />
+  <B value="-17683.63" />
+  <C value="-33.48375" />
+  <D value="0.000017626" />
+  <E value="2" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="632.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.173181E+08" />
+  <B value="1.489028" />
+  <C value="-2.632241" />
+  <D value="3.547284" />
+  <E value="-1.892409" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="611.89" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-12012" />
+  <B value="1881.5" />
+  <C value="-12.305" />
+  <D value="0.047146" />
+  <E value="-0.000063007" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="239.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-85727" />
+  <B value="742.02" />
+  <C value="4.7157" />
+  <D value="0.026441" />
+  <E value="-0.000025674" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="106760" />
+  <B value="-598.85" />
+  <C value="13.165" />
+  <D value="0.000054117" />
+  <E value="-4.1018E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37446" />
+  <B value="-455.4" />
+  <C value="-40.107" />
+  <D value="86814" />
+  <E value="-437570" />
+  <Tmin units="K"  value="312" />
+  <Tmax units="K"  value="1735.9" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-78.864" />
+  <B value="5896.7" />
+  <C value="9.4721" />
+  <D value="-3.3466E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="465.1" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.5718E-07" />
+  <B value="0.65021" />
+  <C value="248.54" />
+  <D value="12.534" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.090359" />
+  <B value="1107.5" />
+  <C value="-13.417" />
+  <D value="0.037115" />
+  <E value="-0.000045589" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="573.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.060066" />
+  <B value="0.28898" />
+  <C value="-3437.9" />
+  <D value="-1686200" />
+  <Tmin units="K"  value="449.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043165" />
+  <B value="-13.275" />
+  <C value="-2.2347" />
+  <D value="-0.0011614" />
+  <E value="-3.9773E-07" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="611.89" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="65975" />
+  <B value="149.85" />
+  <C value="1.1826" />
+  <D value="-0.0016895" />
+  <E value="6.8694E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.03" />
+  <B value="-5875" />
+  <C value="-35.25" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.467" />
+  <B value="2769.6" />
+  <C value="-139.94" />
+  <Tmin units="K"  value="379.55" />
+  <Tmax units="K"  value="563.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.6144" />
+  <B value="-0.022444" />
+  <Tmin units="K"  value="239.15" />
+  <Tmax units="K"  value="465.1" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.453119" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.086625E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.6932" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.85" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.53641" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577626" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.726944" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.582" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.14195" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.748" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.4631" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.582" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21540" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.14195" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="14"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="15"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="6" />
+  <group id="14"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-70-6" />
+<Smiles name="SMILES"  value="OCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1241" />
+<CompoundID name="Name"  value="1,4-butanediol" />
+<StructureFormula name="Structure"  value="HO(CH2)4OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="667" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4880000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.297" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="501.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="293.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="293.05" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.437872" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0888513" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.17696" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.582E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28850" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.057" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.32E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.267E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.78E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.63E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.1" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.2801E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.325" />
+  <B value="-0.0054395" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="117.22" />
+  <Tmax units="K"  value="293.05" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.87669" />
+  <B value="0.26038" />
+  <C value="667" />
+  <D value="0.18382" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="273.87" />
+  <B value="-20688" />
+  <C value="-36.39" />
+  <D value="0.000020662" />
+  <E value="2" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.835E+07" />
+  <B value="0.2441" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13695" />
+  <B value="403.81" />
+  <C value="2.0198" />
+  <D value="-0.012355" />
+  <E value="0.000021703" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="293.05" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-147300" />
+  <B value="-151.29" />
+  <C value="13.013" />
+  <D value="0.00082927" />
+  <E value="-4.8483E-07" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78857" />
+  <B value="-613.48" />
+  <C value="12.793" />
+  <D value="-0.00013274" />
+  <E value="6.7309E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.047517" />
+  <B value="224.57" />
+  <C value="-206.02" />
+  <D value="728640" />
+  <E value="-3209200" />
+  <Tmin units="K"  value="333" />
+  <Tmax units="K"  value="1833" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-135.2818" />
+  <B value="9167.078" />
+  <C value="18.06409" />
+  <D value="-0.0000115446" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0592E-07" />
+  <B value="0.79673" />
+  <C value="195.38" />
+  <D value="-19182" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.17847" />
+  <B value="-272.57" />
+  <C value="-0.42428" />
+  <D value="-0.0080796" />
+  <E value="0.0000034419" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-0.69878" />
+  <B value="0.86746" />
+  <C value="-2810400" />
+  <D value="-7.1005E+07" />
+  <Tmin units="K"  value="500" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.16365" />
+  <B value="1.8545" />
+  <C value="-1.4959" />
+  <D value="-0.00012211" />
+  <E value="-5.0965E-07" />
+  <Tmin units="K"  value="293.05" />
+  <Tmax units="K"  value="667" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7294.7" />
+  <B value="466.9" />
+  <C value="-0.2818" />
+  <D value="0.000069184" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.49" />
+  <B value="-10000" />
+  <C value="-95.7" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.877" />
+  <B value="5782.7" />
+  <C value="-67.663" />
+  <Tmin units="K"  value="408.15" />
+  <Tmax units="K"  value="588.27" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.9232" />
+  <B value="-0.026397" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="501.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304068" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.240152E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="345.8955" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="98.92" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0406687" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.021037" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.17696" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0888513" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6976" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.56" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.17696" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="28850" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0888513" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-63-4" />
+<Smiles name="SMILES"  value="OCCCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1801" />
+<CompoundID name="Name"  value="Methyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="470" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7230000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.145" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="279.11" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="150.18" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="150.18" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.14785" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="48.109" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05552" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.15" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.606E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.07E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02848" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.39E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-9920000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="255000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5904000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89544" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.1517E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="27.366" />
+  <B value="-0.020311" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="60.07" />
+  <Tmax units="K"  value="150.18" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.954" />
+  <B value="0.28171" />
+  <C value="470" />
+  <D value="0.28737" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="453.12" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.1598" />
+  <B value="-6300.053" />
+  <C value="-14.66478" />
+  <D value="0.0000195265" />
+  <E value="2" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.221375E+07" />
+  <B value="-0.00310105" />
+  <C value="0.657759" />
+  <D value="-0.0249162" />
+  <E value="-0.340052" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-10842" />
+  <B value="883.79" />
+  <C value="1.0741" />
+  <D value="-0.071254" />
+  <E value="0.00032202" />
+  <Tmin units="K"  value="14.96" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87318" />
+  <B value="-59222" />
+  <C value="550.29" />
+  <D value="-1.6599" />
+  <E value="0.001702" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="298.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38535" />
+  <B value="-588.35" />
+  <C value="11.232" />
+  <D value="0.00044782" />
+  <E value="-1.6363E-07" />
+  <Tmin units="K"  value="100" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.086994" />
+  <B value="-107.34" />
+  <C value="-7.9703" />
+  <D value="-15.158" />
+  <E value="-109.37" />
+  <Tmin units="K"  value="235" />
+  <Tmax units="K"  value="1880" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.947" />
+  <B value="607.01" />
+  <C value="-0.26447" />
+  <D value="0.0000011807" />
+  <E value="2" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9969E-07" />
+  <B value="0.74097" />
+  <C value="130.67" />
+  <D value="-839.04" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.011242" />
+  <B value="-11.424" />
+  <C value="-1.1701" />
+  <D value="-0.0017729" />
+  <E value="-0.0000012043" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000024689" />
+  <B value="1.1702" />
+  <C value="4.7184" />
+  <D value="35466" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01346" />
+  <B value="41.423" />
+  <C value="-3.0112" />
+  <D value="0.0013607" />
+  <E value="-0.000009249" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="469.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34247" />
+  <B value="10.917" />
+  <C value="0.21543" />
+  <D value="-0.00026706" />
+  <E value="1.0044E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.379" />
+  <B value="2532.6" />
+  <C value="-21.919" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="419.46" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1431" />
+  <B value="-0.015082" />
+  <Tmin units="K"  value="150.18" />
+  <Tmax units="K"  value="279.11" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.150999" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.759988E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.0997" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="48.04" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.4449" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0220648" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.863192" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.877" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.676" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="0.529899" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0.141244" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.7511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="60"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="60"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="59"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="74-93-1" />
+<Smiles name="SMILES"  value="CS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1803" />
+<CompoundID name="Name"  value="N-propyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="536" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4520000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="340.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="159.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0651025" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1606" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0911676" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.225" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.88328E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04894" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.75E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2700000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5477000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82526" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.345E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.174" />
+  <B value="-0.011629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="63.98" />
+  <Tmax units="K"  value="159.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.98491" />
+  <B value="0.2613" />
+  <C value="536.61" />
+  <D value="0.28105" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="536.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.44938" />
+  <B value="-6196.556" />
+  <C value="-9.018418" />
+  <D value="0.0000073391" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="536.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.183879E+07" />
+  <B value="-0.0306824" />
+  <C value="1.010385" />
+  <D value="-0.640892" />
+  <E value="-0.0194755" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="516.78" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15951" />
+  <B value="1376.4" />
+  <C value="-8.0131" />
+  <D value="0.022215" />
+  <E value="8.4808E-07" />
+  <Tmin units="K"  value="18.62" />
+  <Tmax units="K"  value="136.69" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104970" />
+  <B value="204.83" />
+  <C value="8.2793" />
+  <D value="0.0048108" />
+  <E value="0.0000020317" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="440" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69258" />
+  <B value="-718.05" />
+  <C value="12.587" />
+  <D value="-0.000090812" />
+  <E value="1.349E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16509" />
+  <B value="-214.88" />
+  <C value="-18.784" />
+  <D value="-1765.2" />
+  <E value="1192.4" />
+  <Tmin units="K"  value="266.5" />
+  <Tmax units="K"  value="1599" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.6328" />
+  <B value="806.3" />
+  <C value="-0.3609" />
+  <D value="0.0000011977" />
+  <E value="2" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.0609E-07" />
+  <B value="0.72623" />
+  <C value="217.41" />
+  <D value="-10810" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061115" />
+  <B value="3.3836" />
+  <C value="-1.3478" />
+  <D value="-0.00049487" />
+  <E value="-0.0000016211" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0088953" />
+  <B value="0.51444" />
+  <C value="2337.9" />
+  <D value="345110" />
+  <Tmin units="K"  value="340.87" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0074449" />
+  <B value="194.68" />
+  <C value="-5.0277" />
+  <D value="0.0075386" />
+  <E value="-0.000015012" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="516.78" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18723" />
+  <B value="294.36" />
+  <C value="-0.1308" />
+  <D value="0.000019418" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-5.047" />
+  <B value="-2970" />
+  <C value="-17.82" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="440" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.949" />
+  <B value="2807" />
+  <C value="-42.818" />
+  <Tmin units="K"  value="322.03" />
+  <Tmax units="K"  value="477.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3587" />
+  <B value="-0.015176" />
+  <Tmin units="K"  value="159.95" />
+  <Tmax units="K"  value="340.87" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.260086" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.842493E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="289.6357" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.03201" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.09328" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0359885" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84534" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.225" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0911676" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.2265" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.756" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.326" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.225" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18020" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0911676" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-03-9" />
+<Smiles name="SMILES"  value="CCCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1804" />
+<CompoundID name="Name"  value="Tert-butyl mercaptan" />
+<StructureFormula name="Structure"  value="C(CH3)3SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="530" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4060000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.283" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="337.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="274.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="274.42" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7907.71" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.113524" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.191395" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.185E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05915" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.096E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1006000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="338000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2482000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.89359" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9396E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.536" />
+  <B value="-0.0047128" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="109.7" />
+  <Tmax units="K"  value="274.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.89711" />
+  <B value="0.27544" />
+  <C value="530" />
+  <D value="0.31359" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="107.5154" />
+  <B value="-7030.549" />
+  <C value="-13.1586" />
+  <D value="0.0000127338" />
+  <E value="2" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.3137E+07" />
+  <B value="1.4502" />
+  <C value="-2.4713" />
+  <D value="2.4297" />
+  <E value="-0.95458" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19552" />
+  <B value="2145.8" />
+  <C value="-26.593" />
+  <D value="0.17311" />
+  <E value="-0.00034631" />
+  <Tmin units="K"  value="12.35" />
+  <Tmax units="K"  value="176.87" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="154160" />
+  <B value="506.03" />
+  <C value="1.848" />
+  <D value="0.027991" />
+  <E value="-0.000021961" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81989" />
+  <B value="-677.66" />
+  <C value="12.907" />
+  <D value="-0.00021031" />
+  <E value="4.8543E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15748" />
+  <B value="-135.94" />
+  <C value="-33.617" />
+  <D value="1896.4" />
+  <E value="-6191.8" />
+  <Tmin units="K"  value="262" />
+  <Tmax units="K"  value="1834" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.3337" />
+  <B value="1214.8" />
+  <C value="-0.59208" />
+  <D value="0.0000022318" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9123E-07" />
+  <B value="0.6395" />
+  <C value="316.74" />
+  <D value="-8533.3" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.031454" />
+  <B value="-260.91" />
+  <C value="0.599" />
+  <D value="-0.0079027" />
+  <E value="0.0000031638" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.032499" />
+  <B value="0.31482" />
+  <C value="1562.3" />
+  <D value="775320" />
+  <Tmin units="K"  value="337.37" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.003175" />
+  <B value="737.78" />
+  <C value="-10.123" />
+  <D value="0.022698" />
+  <E value="-0.000032367" />
+  <Tmin units="K"  value="274.26" />
+  <Tmax units="K"  value="530" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="11171" />
+  <B value="439.34" />
+  <C value="-0.24387" />
+  <D value="0.000049974" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.422" />
+  <B value="-2740" />
+  <C value="-16.44" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="445" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.619" />
+  <B value="2629" />
+  <C value="-48.233" />
+  <Tmin units="K"  value="318.35" />
+  <Tmax units="K"  value="476.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3141" />
+  <B value="-0.013773" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="337.37" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315937" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.725508E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="367.8072" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.283" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.489" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.862" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427884" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.80482" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.191395" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.113524" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.3543" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="2.2573" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.191395" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.113524" />
+<Asog name="ASOG" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-66-1" />
+<Smiles name="SMILES"  value="CC(C)(C)S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1805" />
+<CompoundID name="Name"  value="Isobutyl mercaptan" />
+<StructureFormula name="Structure"  value="(CH3)2CHCH2SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3900000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.268" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="361.64" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="128.31" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="128.3" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.75023E-06" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.108751" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.455E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.4528E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.694E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6100000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="362840" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="4982300" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.91991" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.949E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.835" />
+  <B value="-0.012799" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="51.32" />
+  <Tmax units="K"  value="128.31" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.97433" />
+  <B value="0.28543" />
+  <C value="557" />
+  <D value="0.30684" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.36165" />
+  <B value="-7005.04" />
+  <C value="-10.97315" />
+  <D value="8.971409E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="559" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.696233E+07" />
+  <B value="0.280539" />
+  <C value="0.393074" />
+  <D value="-0.340509" />
+  <E value="0.0160184" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14787" />
+  <B value="1720.7" />
+  <C value="-15.027" />
+  <D value="0.082237" />
+  <E value="-0.00013773" />
+  <Tmin units="K"  value="12.41" />
+  <Tmax units="K"  value="128.31" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="113680" />
+  <B value="117.72" />
+  <C value="9.1822" />
+  <D value="0.0046628" />
+  <E value="2.8876E-09" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="470" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83649" />
+  <B value="-694.35" />
+  <C value="12.849" />
+  <D value="-0.00014111" />
+  <E value="3.1023E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.19029" />
+  <B value="-182.14" />
+  <C value="-34.378" />
+  <D value="-7197.6" />
+  <E value="12309" />
+  <Tmin units="K"  value="271.5" />
+  <Tmax units="K"  value="1629" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.885" />
+  <B value="935.58" />
+  <C value="0.015703" />
+  <D value="-1.4837E-10" />
+  <E value="2" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5691E-08" />
+  <B value="0.8336" />
+  <C value="119.56" />
+  <D value="-8012" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.03575" />
+  <B value="3.5477" />
+  <C value="-1.4952" />
+  <D value="-0.00050318" />
+  <E value="-0.0000017356" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014532" />
+  <B value="0.98673" />
+  <C value="557.5" />
+  <D value="22542" />
+  <Tmin units="K"  value="361.64" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.019478" />
+  <B value="11.024" />
+  <C value="-2.7575" />
+  <D value="-0.00056011" />
+  <E value="-0.0000029228" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="536.33" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18204" />
+  <B value="396.93" />
+  <C value="-0.19558" />
+  <D value="0.000034612" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.932" />
+  <B value="2967.3" />
+  <C value="-46.193" />
+  <Tmin units="K"  value="338.12" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0171" />
+  <B value="-0.018678" />
+  <Tmin units="K"  value="128.31" />
+  <Tmax units="K"  value="361.64" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315992" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.112178E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.7267" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.268" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.556" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.55718" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0427712" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.83847" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.108751" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9001" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.292" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2753" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17240" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.108751" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="3"  value="1" />
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="3"  value="1" />
+  <group id="1"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="513-44-0" />
+<Smiles name="SMILES"  value="CC(C)CS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1806" />
+<CompoundID name="Name"  value="Sec-butyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3CH2CH(SH)CH3" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="551" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3970000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.307" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.271" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="358.13" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="133.01" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="133.01" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0000339902" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10943" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.25" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.362E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05916" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.45E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.66E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="5200000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="366730" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6477000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.85933" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.95E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.628" />
+  <B value="-0.011085" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="53.21" />
+  <Tmax units="K"  value="133.02" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.81743" />
+  <B value="0.26237" />
+  <C value="554.01" />
+  <D value="0.28149" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="554" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="85.20348" />
+  <B value="-6580.804" />
+  <C value="-9.568603" />
+  <D value="0.0000075683" />
+  <E value="2" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="554" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.567571E+07" />
+  <B value="0.16352" />
+  <C value="0.885588" />
+  <D value="-1.131485" />
+  <E value="0.438377" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="531.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14348" />
+  <B value="1684.2" />
+  <C value="-14.306" />
+  <D value="0.073175" />
+  <E value="-0.00012364" />
+  <Tmin units="K"  value="12.44" />
+  <Tmax units="K"  value="133.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="132220" />
+  <B value="286.96" />
+  <C value="6.629" />
+  <D value="0.011753" />
+  <E value="-0.0000059086" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="470" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85634" />
+  <B value="-697.09" />
+  <C value="12.792" />
+  <D value="-0.00003836" />
+  <E value="-5.0229E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15286" />
+  <B value="-191.11" />
+  <C value="-37.033" />
+  <D value="3742.9" />
+  <E value="-12255" />
+  <Tmin units="K"  value="270.5" />
+  <Tmax units="K"  value="1623" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.718" />
+  <B value="953.76" />
+  <C value="0.15985" />
+  <D value="-4.5581E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.4539E-08" />
+  <B value="0.83594" />
+  <C value="117.21" />
+  <D value="-7872.1" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.032852" />
+  <B value="4.221" />
+  <C value="-1.5207" />
+  <D value="-0.0004702" />
+  <E value="-0.0000018598" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.97519" />
+  <B value="-0.11286" />
+  <C value="1130.7" />
+  <D value="3149700" />
+  <Tmin units="K"  value="358.13" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016327" />
+  <B value="13.06" />
+  <C value="-2.6627" />
+  <D value="-0.0011001" />
+  <E value="-0.0000030132" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="531.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="22301" />
+  <B value="378.69" />
+  <C value="-0.16891" />
+  <D value="0.000025206" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.77" />
+  <B value="-2825" />
+  <C value="-16.95" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="440" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.911" />
+  <B value="2934.9" />
+  <C value="-45.402" />
+  <Tmin units="K"  value="332.43" />
+  <Tmax units="K"  value="490" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.1814" />
+  <B value="-0.018144" />
+  <Tmin units="K"  value="133.02" />
+  <Tmax units="K"  value="358.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.315992" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.031073E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.1555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.271" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="111.786" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.042761" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.83338" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.25" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10943" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.1276" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.604" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.25" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10943" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="513-53-1" />
+<Smiles name="SMILES"  value="CC(S)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1807" />
+<CompoundID name="Name"  value="N-hexyl mercaptan" />
+<StructureFormula name="Structure"  value="CH3(CH2)5SH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="622" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3025000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="424.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="192.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="192.62" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0130959" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141006" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.369" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.252E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17450" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.17E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07963" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.12E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.292E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.77E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="454600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.801E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.03043" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.176E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.9499" />
+  <B value="-0.0064569" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="77.05" />
+  <Tmax units="K"  value="192.62" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60827" />
+  <B value="0.26212" />
+  <C value="623.01" />
+  <D value="0.27785" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="623" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.0208" />
+  <B value="-8530.272" />
+  <C value="-11.91139" />
+  <D value="8.521739E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="623" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.053718E+07" />
+  <B value="0.532372" />
+  <C value="-0.222059" />
+  <D value="0.0696209" />
+  <E value="-0.00101028" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="600.35" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19026" />
+  <B value="1622.7" />
+  <C value="-5.5711" />
+  <D value="-0.0016101" />
+  <E value="0.00005357" />
+  <Tmin units="K"  value="16.73" />
+  <Tmax units="K"  value="186.33" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="168110" />
+  <B value="243.92" />
+  <C value="7.741" />
+  <D value="0.0099925" />
+  <E value="-0.0000054522" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="510" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="116170" />
+  <B value="-711.75" />
+  <C value="13.18" />
+  <D value="-0.000044297" />
+  <E value="1.0562E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28791" />
+  <B value="-359.98" />
+  <C value="-70.803" />
+  <D value="-33240" />
+  <E value="54069" />
+  <Tmin units="K"  value="311.5" />
+  <Tmax units="K"  value="1991.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-35.723" />
+  <B value="1823.3" />
+  <C value="4.0853" />
+  <D value="-0.0000098564" />
+  <E value="2" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.7616E-08" />
+  <B value="0.85134" />
+  <C value="101.57" />
+  <D value="-4277.1" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.076932" />
+  <B value="5.5076" />
+  <C value="-1.3601" />
+  <D value="-0.00033003" />
+  <E value="-0.000001155" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.090806" />
+  <B value="0.27994" />
+  <C value="4707" />
+  <D value="1982000" />
+  <Tmin units="K"  value="425.81" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043732" />
+  <B value="-13.608" />
+  <C value="-2.1183" />
+  <D value="-0.001643" />
+  <E value="5.7805E-08" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="600.35" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="23098" />
+  <B value="542.53" />
+  <C value="-0.23254" />
+  <D value="0.000032568" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.988" />
+  <B value="3419.8" />
+  <C value="-64.357" />
+  <Tmin units="K"  value="373.83" />
+  <Tmax units="K"  value="555.05" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0571" />
+  <B value="-0.013495" />
+  <Tmin units="K"  value="192.62" />
+  <Tmax units="K"  value="425.81" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.432645" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.508354E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="256.863" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="137.185" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0570385" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84617" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.369" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141006" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2497" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.369" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17450" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141006" />
+<UnifacVLE name="UNIFAC" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="55"  value="1" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="1" />
+  <group id="2"  value="5" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="61"  value="1" />
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="60"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-31-9" />
+<Smiles name="SMILES"  value="CCCCCCS" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1813" />
+<CompoundID name="Name"  value="Methyl ethyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="533" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4260000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.26" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="339.8" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="167.24" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="167.23" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.224563" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.163" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.09102" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.208" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.846E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04837" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.89E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.93E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.19E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="332100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9761000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.78709" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3531E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="16.219" />
+  <B value="-0.012123" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66.89" />
+  <Tmax units="K"  value="167.23" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.067" />
+  <B value="0.27102" />
+  <C value="533" />
+  <D value="0.29364" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.44792" />
+  <B value="-6287.173" />
+  <C value="-9.497514" />
+  <D value="8.101952E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.1014E+07" />
+  <B value="1.045" />
+  <C value="-1.3834" />
+  <D value="1.1914" />
+  <E value="-0.41055" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-19284" />
+  <B value="1609.7" />
+  <C value="-10.685" />
+  <D value="0.036633" />
+  <E value="-0.000038883" />
+  <Tmin units="K"  value="17.79" />
+  <Tmax units="K"  value="161.43" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="128430" />
+  <B value="1340.2" />
+  <C value="-7.9347" />
+  <D value="0.062009" />
+  <E value="-0.00006022" />
+  <Tmin units="K"  value="147.21" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65018" />
+  <B value="-602.45" />
+  <C value="12.269" />
+  <D value="0.00023938" />
+  <E value="-9.0299E-08" />
+  <Tmin units="K"  value="273.16" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12321" />
+  <B value="-136.78" />
+  <C value="-37.817" />
+  <D value="13559" />
+  <E value="-38648" />
+  <Tmin units="K"  value="266.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.137" />
+  <B value="871.68" />
+  <C value="0.048227" />
+  <D value="-1.2198E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5396E-07" />
+  <B value="0.76205" />
+  <C value="156.76" />
+  <D value="-5273.3" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.050172" />
+  <B value="-1.1207" />
+  <C value="-1.3208" />
+  <D value="-0.00082247" />
+  <E value="-0.0000013076" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0034168" />
+  <B value="0.62158" />
+  <C value="1811.6" />
+  <D value="162180" />
+  <Tmin units="K"  value="339.8" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010255" />
+  <B value="52.377" />
+  <C value="-3.2511" />
+  <D value="0.0012494" />
+  <E value="-0.0000074687" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="533" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23414" />
+  <B value="242.67" />
+  <C value="0.067098" />
+  <D value="-0.00024012" />
+  <E value="1.1017E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.758" />
+  <B value="2662.3" />
+  <C value="-51.408" />
+  <Tmin units="K"  value="321.07" />
+  <Tmax units="K"  value="475.25" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.5661" />
+  <B value="-0.014639" />
+  <Tmin units="K"  value="167.23" />
+  <Tmax units="K"  value="339.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.257003" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.286005E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="236.7143" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="83.45" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.02863" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0358611" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84695" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.208" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09102" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.1885" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.756" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0.36781" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.208" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.09102" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-89-5" />
+<Smiles name="SMILES"  value="CSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1814" />
+<CompoundID name="Name"  value="Methyl n-propyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="552" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.322" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="368.69" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="160.17" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="160.17" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00425588" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.1872" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.107699" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.356915" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.373E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0586" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.19E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.793E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="371700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9912000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.01" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.962E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.682" />
+  <B value="-0.010678" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.07" />
+  <Tmax units="K"  value="160.17" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.528" />
+  <B value="0.35328" />
+  <C value="552" />
+  <D value="0.39953" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.78969" />
+  <B value="-6786.538" />
+  <C value="-9.267875" />
+  <D value="6.742312E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="565" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.460643E+07" />
+  <B value="0.610381" />
+  <C value="0.183873" />
+  <D value="-0.864255" />
+  <E value="0.448129" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13278" />
+  <B value="1215" />
+  <C value="-0.30808" />
+  <D value="-0.046796" />
+  <E value="0.00019076" />
+  <Tmin units="K"  value="16.47" />
+  <Tmax units="K"  value="150.37" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="140680" />
+  <B value="477.81" />
+  <C value="3.8109" />
+  <D value="0.020949" />
+  <E value="-0.000014877" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="76201" />
+  <B value="-575.5" />
+  <C value="12.472" />
+  <D value="0.00030373" />
+  <E value="-1.0224E-07" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.08111" />
+  <B value="-68.911" />
+  <C value="-77.365" />
+  <D value="58267" />
+  <E value="-161420" />
+  <Tmin units="K"  value="282.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.683" />
+  <B value="983.43" />
+  <C value="0.11996" />
+  <D value="-4.1262E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4928E-08" />
+  <B value="0.89154" />
+  <C value="78.07" />
+  <D value="-5628.6" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.062059" />
+  <B value="3.0814" />
+  <C value="-1.3629" />
+  <D value="-0.00055214" />
+  <E value="-0.0000012783" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0023304" />
+  <B value="0.67586" />
+  <C value="1803.3" />
+  <D value="153300" />
+  <Tmin units="K"  value="368.69" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0070237" />
+  <B value="92.745" />
+  <C value="-3.8705" />
+  <D value="0.0035687" />
+  <E value="-0.000010748" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="543.69" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="16136" />
+  <B value="391.22" />
+  <C value="-0.18441" />
+  <D value="0.000032898" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.984" />
+  <B value="3002.5" />
+  <C value="-51.221" />
+  <Tmin units="K"  value="331.82" />
+  <Tmax units="K"  value="479.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9627" />
+  <B value="-0.015623" />
+  <Tmin units="K"  value="160.17" />
+  <Tmax units="K"  value="368.69" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.312895" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.469994E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="278.4399" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.501" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423566" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84676" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.356915" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.107699" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.273669" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.107699" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="3877-15-4" />
+<Smiles name="SMILES"  value="CSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1815" />
+<CompoundID name="Name"  value="Methyl t-butyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC(CH3)3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="585" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.37" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="372.048" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="190.84" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="190.84" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.818336" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.214" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12697" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.107514" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.509E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16230" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06881" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.209E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="7400000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8414000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.67" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.558E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="11.206" />
+  <B value="-0.0073401" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.34" />
+  <Tmax units="K"  value="190.84" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0025324" />
+  <B value="0.015967" />
+  <C value="585" />
+  <D value="0.080614" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="84.46516" />
+  <B value="-6786.586" />
+  <C value="-9.396892" />
+  <D value="6.668285E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.776086E+07" />
+  <B value="2.156989" />
+  <C value="-4.009149" />
+  <D value="3.630339" />
+  <E value="-1.236406" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-8544.9" />
+  <B value="1449.1" />
+  <C value="-8.766" />
+  <D value="0.039746" />
+  <E value="-0.000061947" />
+  <Tmin units="K"  value="20.74" />
+  <Tmax units="K"  value="180.54" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="141210" />
+  <B value="178.65" />
+  <C value="7.6994" />
+  <D value="0.011393" />
+  <E value="-0.0000080501" />
+  <Tmin units="K"  value="189.96" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="87862" />
+  <B value="-573.15" />
+  <C value="12.832" />
+  <D value="0.000097962" />
+  <E value="-4.8038E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2108" />
+  <B value="-261.12" />
+  <C value="-41.45" />
+  <D value="-6872.1" />
+  <E value="24062" />
+  <Tmin units="K"  value="330.2" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.768" />
+  <B value="996.37" />
+  <C value="0.0046964" />
+  <D value="-1.0865E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4934E-07" />
+  <B value="0.74231" />
+  <C value="170.99" />
+  <D value="-8263.5" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.049324" />
+  <B value="-5.479" />
+  <C value="-1.3559" />
+  <D value="-0.00091706" />
+  <E value="-9.5073E-07" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016838" />
+  <B value="0.95767" />
+  <C value="599.31" />
+  <D value="12993" />
+  <Tmin units="K"  value="372.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025531" />
+  <B value="-17.805" />
+  <C value="-2.276" />
+  <D value="-0.0022145" />
+  <E value="-2.4544E-07" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="570" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7260" />
+  <B value="545.25" />
+  <C value="-0.30907" />
+  <D value="0.000066341" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.736" />
+  <B value="2954" />
+  <C value="-51.303" />
+  <Tmin units="K"  value="351.19" />
+  <Tmax units="K"  value="510.13" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.2409" />
+  <B value="-0.01354" />
+  <Tmin units="K"  value="190.84" />
+  <Tmax units="K"  value="372.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.3701" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.475542E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="338.2028" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="118.727" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0497028" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.82938" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.107514" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12697" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5358" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.233365" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12697" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="122"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="6163-64-0" />
+<Smiles name="SMILES"  value="CSC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1816" />
+<CompoundID name="Name"  value="Methyl t-pentyl sulfide" />
+<StructureFormula name="Structure"  value="CH3SC(CH3)(CH3)C2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="632" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3130000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.259" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="401.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="195" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="195" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0547032" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141236" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.283554" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.988E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16850" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.113E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.374E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.884E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="422900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8320000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.171E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.916" />
+  <B value="-0.0063564" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78" />
+  <Tmax units="K"  value="195" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59566" />
+  <B value="0.25918" />
+  <C value="632" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="71.41151" />
+  <B value="-7073.516" />
+  <C value="-7.244729" />
+  <D value="3.628693E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.4045E+07" />
+  <B value="0.37325" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-20380" />
+  <B value="1924" />
+  <C value="-10.285" />
+  <D value="0.022612" />
+  <E value="0.00003528" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="150" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="181970" />
+  <B value="283.58" />
+  <C value="5.3016" />
+  <D value="0.020294" />
+  <E value="-0.000016827" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="474" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="109660" />
+  <B value="-656.23" />
+  <C value="13.164" />
+  <D value="-0.000084618" />
+  <E value="-5.7336E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28156" />
+  <B value="-377.98" />
+  <C value="-67.102" />
+  <D value="-17004" />
+  <E value="6836.4" />
+  <Tmin units="K"  value="316" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.248" />
+  <B value="1169.1" />
+  <C value="-0.00088104" />
+  <D value="1.198E-09" />
+  <E value="2" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="423" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.9322E-08" />
+  <B value="0.79515" />
+  <C value="142.11" />
+  <D value="-9151.1" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.059845" />
+  <B value="-0.6973" />
+  <C value="-1.3681" />
+  <D value="-0.00062696" />
+  <E value="-0.0000008708" />
+  <Tmin units="K"  value="155" />
+  <Tmax units="K"  value="423" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014528" />
+  <B value="0.96627" />
+  <C value="637.8" />
+  <D value="13351" />
+  <Tmin units="K"  value="423" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0084476" />
+  <B value="63" />
+  <C value="-3.4305" />
+  <D value="0.0011072" />
+  <E value="-0.0000054381" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="632" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2393.4" />
+  <B value="652.33" />
+  <C value="-0.3793" />
+  <D value="0.000081492" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.825" />
+  <B value="3408.7" />
+  <C value="-56.194" />
+  <Tmin units="K"  value="402" />
+  <Tmax units="K"  value="563" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0728" />
+  <B value="-0.013528" />
+  <Tmin units="K"  value="195" />
+  <Tmax units="K"  value="423" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.429177" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.023997E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="318.7935" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="136.778" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0566345" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84466" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.283554" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141236" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2102" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.452" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.283554" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16850" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141236" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="3" />
+  <group id="2"  value="1" />
+  <group id="4"  value="1" />
+  <group id="102"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="13286-92-5" />
+<Smiles name="SMILES"  value="CSC(C)(C)CC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1817" />
+<CompoundID name="Name"  value="Di-n-propyl sulfide" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="608" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3080000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.412" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="415.978" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="170.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="170.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000440358" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.24" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141918" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.374042" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.089E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07906" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.094E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.254E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.15E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.214E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.1801E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.099" />
+  <B value="-0.0074068" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.18" />
+  <Tmax units="K"  value="170.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66296" />
+  <B value="0.27313" />
+  <C value="608" />
+  <D value="0.29224" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="149.6373" />
+  <B value="-10251.56" />
+  <C value="-19.3067" />
+  <D value="0.0000171365" />
+  <E value="2" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="608" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7575E+07" />
+  <B value="0.38334" />
+  <C value="0.098397" />
+  <D value="-0.17233" />
+  <E value="0.065159" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-13983" />
+  <B value="1523.9" />
+  <C value="-1.9419" />
+  <D value="-0.047401" />
+  <E value="0.00023576" />
+  <Tmin units="K"  value="14.29" />
+  <Tmax units="K"  value="165.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165300" />
+  <B value="330.45" />
+  <C value="6.4516" />
+  <D value="0.01426" />
+  <E value="-0.000009041" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="375" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105470" />
+  <B value="-659.93" />
+  <C value="13.199" />
+  <D value="-0.00015" />
+  <E value="2.3041E-08" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27779" />
+  <B value="-335.64" />
+  <C value="-67.213" />
+  <D value="-19481" />
+  <E value="17068" />
+  <Tmin units="K"  value="304" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.285" />
+  <B value="1150.9" />
+  <C value="-0.17064" />
+  <D value="6.2281E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5739E-08" />
+  <B value="0.838" />
+  <C value="116.99" />
+  <D value="-6475.6" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078109" />
+  <B value="7.1733" />
+  <C value="-1.4231" />
+  <D value="-0.000097639" />
+  <E value="-0.0000015465" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0086151" />
+  <B value="0.48706" />
+  <C value="1648.6" />
+  <D value="489220" />
+  <Tmin units="K"  value="415.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016747" />
+  <B value="16.881" />
+  <C value="-2.7667" />
+  <D value="-0.00076737" />
+  <E value="-0.000002493" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="584.97" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="541.13" />
+  <B value="648.44" />
+  <C value="-0.38084" />
+  <D value="0.00008351" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.969" />
+  <B value="3327.3" />
+  <C value="-63.661" />
+  <Tmin units="K"  value="367.71" />
+  <Tmax units="K"  value="538.91" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4507" />
+  <B value="-0.015523" />
+  <Tmin units="K"  value="170.44" />
+  <Tmax units="K"  value="415.98" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.429295" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.293494E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="273.9316" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.034" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0565316" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.84105" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.374042" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.141918" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2117" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.374042" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.141918" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-47-7" />
+<Smiles name="SMILES"  value="CCCSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1818" />
+<CompoundID name="Name"  value="Diethyl sulfide" />
+<StructureFormula name="Structure"  value="CH3CH2SCH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3960000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.318" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.269" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="365.25" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.099321" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.10851" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.295" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.212E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17490" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.14E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0586" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.24E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.347E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.778E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="368000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.19035E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.90128" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.9607E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.811" />
+  <B value="-3.1253E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="83.15" />
+  <Tmax units="K"  value="92.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.71845" />
+  <B value="0.24674" />
+  <C value="557.16" />
+  <D value="0.25292" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="557.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="70.99138" />
+  <B value="-6108.92" />
+  <C value="-7.37143" />
+  <D value="5.835752E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="557.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6317E+07" />
+  <B value="0.40563" />
+  <C value="-0.17525" />
+  <D value="0.12561" />
+  <E value="0.018959" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="536.73" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11543" />
+  <B value="1074.2" />
+  <C value="-1.061" />
+  <D value="-0.019344" />
+  <E value="0.000072553" />
+  <Tmin units="K"  value="15.97" />
+  <Tmax units="K"  value="159.4" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="145900" />
+  <B value="1485.7" />
+  <C value="-9.9348" />
+  <D value="0.077005" />
+  <E value="-0.000088463" />
+  <Tmin units="K"  value="181.95" />
+  <Tmax units="K"  value="322.08" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84916" />
+  <B value="-751.54" />
+  <C value="12.969" />
+  <D value="-0.00026179" />
+  <E value="6.4336E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16441" />
+  <B value="-234.17" />
+  <C value="-39.709" />
+  <D value="11874" />
+  <E value="-35686" />
+  <Tmin units="K"  value="278.5" />
+  <Tmax units="K"  value="1949.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-2.9987" />
+  <B value="606.92" />
+  <C value="-1.2077" />
+  <D value="8.2651E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.8477E-08" />
+  <B value="0.85168" />
+  <C value="55.152" />
+  <D value="236.99" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.07619" />
+  <B value="7.9978" />
+  <C value="-1.3835" />
+  <D value="-0.00020735" />
+  <E value="-0.0000016592" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0017352" />
+  <B value="0.67658" />
+  <C value="1116.5" />
+  <D value="181260" />
+  <Tmin units="K"  value="365.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014023" />
+  <B value="40.038" />
+  <C value="-3.1023" />
+  <D value="0.00060236" />
+  <E value="-0.0000051915" />
+  <Tmin units="K"  value="169.2" />
+  <Tmax units="K"  value="536.73" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="36043" />
+  <B value="216.86" />
+  <C value="0.32917" />
+  <D value="-0.00057212" />
+  <E value="2.4112E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.458" />
+  <B value="-2860" />
+  <C value="-17.16" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.747" />
+  <B value="3457.8" />
+  <C value="-26.458" />
+  <Tmin units="K"  value="337.07" />
+  <Tmax units="K"  value="495.89" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6508" />
+  <B value="-0.01037" />
+  <Tmin units="K"  value="225" />
+  <Tmax units="K"  value="365.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.312895" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.156747E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.0153" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.269" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="103.932" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0429092" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.837" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.295" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.10851" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.8629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.295" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17490" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.10851" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="123"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="352-93-2" />
+<Smiles name="SMILES"  value="CCSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1824" />
+<CompoundID name="Name"  value="Diethyl disulfide" />
+<StructureFormula name="Structure"  value="C2H5SSC2H5" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="642" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.358" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="427.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="171.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="171.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000220562" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="122.252" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12376" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.346925" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.615E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.54E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0705" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.47E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.301E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9406000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.257E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.385" />
+  <B value="-0.0073655" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="68.65" />
+  <Tmax units="K"  value="171.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77633" />
+  <B value="0.27774" />
+  <C value="642" />
+  <D value="0.3008" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="177.1651" />
+  <B value="-11358.16" />
+  <C value="-23.65597" />
+  <D value="0.0000232121" />
+  <E value="2" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.898575E+07" />
+  <B value="0.279736" />
+  <C value="0.523521" />
+  <D value="-0.500907" />
+  <E value="0.0214669" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16428" />
+  <B value="1949.1" />
+  <C value="-14.93" />
+  <D value="0.073624" />
+  <E value="-0.00014251" />
+  <Tmin units="K"  value="34.92" />
+  <Tmax units="K"  value="152.34" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="184820" />
+  <B value="1402.4" />
+  <C value="-9.485" />
+  <D value="0.072797" />
+  <E value="-0.00007939" />
+  <Tmin units="K"  value="168.17" />
+  <Tmax units="K"  value="299.3" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="100900" />
+  <B value="-621.21" />
+  <C value="12.713" />
+  <D value="-0.0000050655" />
+  <E value="-1.705E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22999" />
+  <B value="-298.83" />
+  <C value="-65.123" />
+  <D value="-33026" />
+  <E value="42588" />
+  <Tmin units="K"  value="321" />
+  <Tmax units="K"  value="1761" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-12.559" />
+  <B value="1373.4" />
+  <C value="0.15118" />
+  <D value="-3.7692E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.13" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.5143E-08" />
+  <B value="0.87157" />
+  <C value="110.73" />
+  <D value="-9132.4" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.047803" />
+  <B value="3.9799" />
+  <C value="-1.4697" />
+  <D value="-0.00042308" />
+  <E value="-0.0000011998" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.14" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017171" />
+  <B value="0.93356" />
+  <C value="610.03" />
+  <D value="20030" />
+  <Tmin units="K"  value="427.14" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010614" />
+  <B value="45.537" />
+  <C value="-3.1313" />
+  <D value="0.00068508" />
+  <E value="-0.0000047035" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="642" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="35231" />
+  <B value="424.66" />
+  <C value="-0.23005" />
+  <D value="0.000046108" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.962" />
+  <B value="3433.2" />
+  <C value="-63.337" />
+  <Tmin units="K"  value="386.78" />
+  <Tmax units="K"  value="567.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6558" />
+  <B value="-0.01741" />
+  <Tmin units="K"  value="171.63" />
+  <Tmax units="K"  value="427.13" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.379729" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.671723E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="328.3615" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="115.933" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0515886" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.997" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.346925" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.12376" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.5748" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.816" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.346925" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18630" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12376" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="103"  value="2" />
+  </Umr>
+<CAS name="CAS number"  value="110-81-6" />
+<Smiles name="SMILES"  value="CCSSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1828" />
+<CompoundID name="Name"  value="Dimethyl disulfide" />
+<StructureFormula name="Structure"  value="CH3SSCH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="606" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5360000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.252" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.264" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="382.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="188.44" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="188.44" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.207156" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="94.199" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0890926" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.266353" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.942E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20060" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05004" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.25E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.35978E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.53553E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="336686" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9192000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.88" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.04376E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.732" />
+  <B value="-0.0091284" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.38" />
+  <Tmax units="K"  value="188.44" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0289" />
+  <B value="0.26919" />
+  <C value="615.01" />
+  <D value="0.29771" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="615" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.238" />
+  <B value="-6951.5" />
+  <C value="-8.8055" />
+  <D value="0.0000055663" />
+  <E value="2" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.473869E+07" />
+  <B value="0.511523" />
+  <C value="0.456682" />
+  <D value="-1.152343" />
+  <E value="0.579651" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="592.55" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-15381" />
+  <B value="1506.8" />
+  <C value="-8.7556" />
+  <D value="0.024969" />
+  <E value="-0.000016391" />
+  <Tmin units="K"  value="18.3" />
+  <Tmax units="K"  value="181.17" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143050" />
+  <B value="-21950" />
+  <C value="190.58" />
+  <D value="-0.51509" />
+  <E value="0.00050194" />
+  <Tmin units="K"  value="188.44" />
+  <Tmax units="K"  value="360" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="74603" />
+  <B value="-691.43" />
+  <C value="12.21" />
+  <D value="-0.0000028522" />
+  <E value="-1.9217E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="-0.27433" />
+  <B value="338.25" />
+  <C value="-157.11" />
+  <D value="213460" />
+  <E value="-611370" />
+  <Tmin units="K"  value="307.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.014" />
+  <B value="1197" />
+  <C value="-0.085106" />
+  <D value="2.8649E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.8221E-08" />
+  <B value="0.86272" />
+  <C value="109.17" />
+  <D value="-8364.4" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.035195" />
+  <B value="-0.25311" />
+  <C value="-1.4287" />
+  <D value="-0.00064815" />
+  <E value="-0.0000012773" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022814" />
+  <B value="0.8901" />
+  <C value="687.63" />
+  <D value="4695.8" />
+  <Tmin units="K"  value="382.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012015" />
+  <B value="66.606" />
+  <C value="-3.1743" />
+  <D value="0.0012491" />
+  <E value="-0.0000059034" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="592.55" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="38217" />
+  <B value="216.65" />
+  <C value="-0.095516" />
+  <D value="0.00001376" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.22" />
+  <B value="-4800" />
+  <C value="-28.8" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.015" />
+  <B value="3141.5" />
+  <C value="-51.826" />
+  <Tmin units="K"  value="364.43" />
+  <Tmax units="K"  value="525.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.4373" />
+  <B value="-0.01633" />
+  <Tmin units="K"  value="188.43" />
+  <Tmax units="K"  value="382.9" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.266045" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.827118E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.4613" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.264" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="74.969" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0377667" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.06743" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.266353" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0890926" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.226" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.736" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.205916" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20060" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0890926" />
+<UnifacVLE name="UNIFAC" >
+  <group id="102"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="102"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="624-92-0" />
+<Smiles name="SMILES"  value="CSSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1829" />
+<CompoundID name="Name"  value="Di-n-propyl disulfide" />
+<StructureFormula name="Structure"  value="CH3CH2CH2SSCH2CH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="727.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3009350" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.518" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="466.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="187.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="187.66" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000767693" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="150.305" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.157229" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.142024" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.414E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17950" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08986" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.224E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.173E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.849E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="490000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.381E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.65" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.53027E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="8.9128" />
+  <B value="-0.0059368" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="75.06" />
+  <Tmax units="K"  value="187.66" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0083051" />
+  <B value="0.032244" />
+  <C value="727.15" />
+  <D value="0.12866" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="37.30305" />
+  <B value="-7362.883" />
+  <C value="-1.323142" />
+  <D value="-8.891834E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.27924E+07" />
+  <B value="-0.627848" />
+  <C value="2.812662" />
+  <D value="-3.633008" />
+  <E value="1.997715" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23050" />
+  <B value="2146.3" />
+  <C value="-10.296" />
+  <D value="0.017948" />
+  <E value="0.000028517" />
+  <Tmin units="K"  value="16.53" />
+  <Tmax units="K"  value="175.02" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="195280" />
+  <B value="206.99" />
+  <C value="8.2539" />
+  <D value="0.0083402" />
+  <E value="-0.0000036311" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="135200" />
+  <B value="-728.45" />
+  <C value="13.4" />
+  <D value="-0.00037376" />
+  <E value="9.4294E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30698" />
+  <B value="-389.94" />
+  <C value="-117.39" />
+  <D value="-56995" />
+  <E value="52423" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.576" />
+  <B value="1437.8" />
+  <C value="-0.35065" />
+  <D value="0.0000011166" />
+  <E value="2" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.2944E-08" />
+  <B value="0.86495" />
+  <C value="121.54" />
+  <D value="-9663.6" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.066065" />
+  <B value="4.827" />
+  <C value="-1.4132" />
+  <D value="-0.00039942" />
+  <E value="-9.1868E-07" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015595" />
+  <B value="0.95139" />
+  <C value="651.61" />
+  <D value="14665" />
+  <Tmin units="K"  value="469" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010484" />
+  <B value="73.954" />
+  <C value="-3.3578" />
+  <D value="0.0010428" />
+  <E value="-0.0000040493" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="675" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="30077" />
+  <B value="631.46" />
+  <C value="-0.35924" />
+  <D value="0.000074548" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.097" />
+  <B value="4581.5" />
+  <C value="-35.467" />
+  <Tmin units="K"  value="439.75" />
+  <Tmax units="K"  value="649.35" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.6086" />
+  <B value="-0.01566" />
+  <Tmin units="K"  value="187.66" />
+  <Tmax units="K"  value="469" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.493908" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.909704E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="322.9395" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.035" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0694742" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.955" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.0836846" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.157229" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9236" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.896" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.436981" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17950" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.157229" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="103"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="629-19-6" />
+<Smiles name="SMILES"  value="CCCSSCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3801" />
+<CompoundID name="Name"  value="Di-tert-butyl disulfide" />
+<StructureFormula name="Structure"  value="(CH3)3CS2C(CH3)3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="689.7" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3159000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.518" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.285" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="473.6" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.2" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="9.12" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="178.359" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1947" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.402005" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.686E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1126" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.457E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.998E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.427E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="500100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.31E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.665E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="6.7119" />
+  <B value="-0.0031282" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.28" />
+  <Tmax units="K"  value="268.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60778" />
+  <B value="0.31522" />
+  <C value="689.7" />
+  <D value="0.2884" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="113.63" />
+  <B value="-10180" />
+  <C value="-13.332" />
+  <D value="0.0000068178" />
+  <E value="2" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.0039E+07" />
+  <B value="-1.4285" />
+  <C value="5.5884" />
+  <D value="-6.8503" />
+  <E value="3.0089" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="3730" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="273850" />
+  <B value="-799.3" />
+  <C value="13.794" />
+  <D value="-0.001521" />
+  <E value="0.0000014598" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="171300" />
+  <B value="-806" />
+  <C value="13.98" />
+  <D value="-0.00069575" />
+  <E value="1.6372E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3107" />
+  <B value="-418.41" />
+  <C value="-109.87" />
+  <D value="-34733" />
+  <E value="-2236.6" />
+  <Tmin units="K"  value="344.85" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.435" />
+  <B value="1172.7" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="473.65" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000001005" />
+  <B value="0.79652" />
+  <C value="148.51" />
+  <D value="-7648.2" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.019283" />
+  <B value="-53.989" />
+  <C value="-1.1745" />
+  <D value="-0.0017696" />
+  <E value="-1.3435E-07" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="473.65" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018425" />
+  <B value="0.91582" />
+  <C value="448.35" />
+  <D value="58650" />
+  <Tmin units="K"  value="473.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.12216" />
+  <B value="-29.058" />
+  <C value="-1.4793" />
+  <D value="-0.001294" />
+  <E value="6.5007E-07" />
+  <Tmin units="K"  value="268.2" />
+  <Tmax units="K"  value="689.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7365.9" />
+  <B value="999.61" />
+  <C value="-0.67127" />
+  <D value="0.00016012" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.558" />
+  <B value="4258.7" />
+  <C value="-49.2" />
+  <Tmin units="K"  value="423.49" />
+  <Tmax units="K"  value="600.96" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.638704" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.758875E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="490.9247" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.285" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="148.779" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0758034" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.922" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.402005" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1947" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.9221" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.972" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.402005" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15680" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1947" />
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="6" />
+  <group id="4"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-06-5" />
+<Smiles name="SMILES"  value="CC(C)(C)SSC(C)(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3813" />
+<CompoundID name="Name"  value="Ethyl methyl disulfide" />
+<StructureFormula name="Structure"  value="CH3CH2SSCH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="628.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4615000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.312" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="407.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0416" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.226" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1066" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.301" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.411E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18730" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.25E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.061" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.365E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.94E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.709E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="381100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9210000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.215" />
+  <B value="-0.0090158" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.29" />
+  <Tmax units="K"  value="183.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.88258" />
+  <B value="0.27523" />
+  <C value="628.9" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="605.44" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="96.027" />
+  <B value="-8038.4" />
+  <C value="-10.972" />
+  <D value="0.0000070895" />
+  <E value="2" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.9" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.8216E+07" />
+  <B value="0.48633" />
+  <C value="-0.6279" />
+  <D value="0.476" />
+  <E value="0" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.9" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2639" />
+  <B value="0.73245" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="183.22" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="187520" />
+  <B value="-208.62" />
+  <C value="0.55295" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="628.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="84149" />
+  <B value="-628.71" />
+  <C value="12.564" />
+  <D value="-0.0001652" />
+  <E value="8.9754E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18531" />
+  <B value="-341.47" />
+  <C value="-46.957" />
+  <D value="-9218.3" />
+  <E value="14306" />
+  <Tmin units="K"  value="314.45" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-74.45287" />
+  <B value="3204.964" />
+  <C value="10.10529" />
+  <D value="-0.0000144504" />
+  <E value="2" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.0201E-08" />
+  <B value="0.85571" />
+  <C value="90.077" />
+  <D value="-7385.7" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.21083" />
+  <B value="11.426" />
+  <C value="-1.0307" />
+  <D value="0.00012249" />
+  <E value="-0.0000010671" />
+  <Tmin units="K"  value="188.67" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00027958" />
+  <B value="0.86411" />
+  <C value="843.3" />
+  <D value="7471.1" />
+  <Tmin units="K"  value="407.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.019623" />
+  <B value="24.049" />
+  <C value="-2.6806" />
+  <D value="-0.0004209" />
+  <E value="-0.0000026778" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="605.44" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28202" />
+  <B value="358.57" />
+  <C value="-0.21427" />
+  <D value="0.00005341" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.749" />
+  <B value="3877.4" />
+  <C value="-27.865" />
+  <Tmin units="K"  value="394.33" />
+  <Tmax units="K"  value="558.53" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1439" />
+  <B value="-0.0099736" />
+  <Tmin units="K"  value="183.22" />
+  <Tmax units="K"  value="503.12" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.326201" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.957956E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.6339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.451" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0449723" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.02" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.301" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1066" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9004" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.276" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.301" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18730" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1066" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  <group id="103"  value="1" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="102"  value="1" />
+  <group id="103"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="20333-39-5" />
+<Smiles name="SMILES"  value="CCSSC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3814" />
+<CompoundID name="Name"  value="Ethyl propyl disulfide" />
+<StructureFormula name="Structure"  value="CH3(CH2)2SSCH2CH3" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="660" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3612000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.417" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.274" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="165" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="165" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00002" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.279" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1405" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.391" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.304E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17840" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.69E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0824" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.105E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.625E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.796E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="460300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.08E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.866E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.091" />
+  <B value="-0.0076445" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="66" />
+  <Tmax units="K"  value="165" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.65822" />
+  <B value="0.27459" />
+  <C value="660" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.6" />
+  <B value="-9574.8" />
+  <C value="-12.96" />
+  <D value="0.0000072115" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.9782E+07" />
+  <B value="0.63427" />
+  <C value="-0.74757" />
+  <D value="0.47275" />
+  <E value="0" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5554.7" />
+  <B value="1005.5" />
+  <C value="-1.3152" />
+  <D value="0.0022282" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="165" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="223630" />
+  <B value="-139.83" />
+  <C value="0.57232" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="446.85" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105720" />
+  <B value="-573.79" />
+  <C value="12.857" />
+  <D value="0.000058344" />
+  <E value="8.0803E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.24848" />
+  <B value="-451.31" />
+  <C value="-81.656" />
+  <D value="-23479" />
+  <E value="37883" />
+  <Tmin units="K"  value="330" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-37.87" />
+  <B value="2334.8" />
+  <C value="4.1564" />
+  <D value="-0.0000036099" />
+  <E value="2" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="528" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="6.9027E-08" />
+  <B value="0.8462" />
+  <C value="109.98" />
+  <D value="-9618.4" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.20064" />
+  <B value="12.059" />
+  <C value="-1.0757" />
+  <D value="0.00011826" />
+  <E value="-0.000000977" />
+  <Tmin units="K"  value="198" />
+  <Tmax units="K"  value="528" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00000124" />
+  <B value="1.5526" />
+  <C value="-137.7" />
+  <D value="30422" />
+  <Tmin units="K"  value="446.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.016218" />
+  <B value="22.019" />
+  <C value="-2.7492" />
+  <D value="-0.00041928" />
+  <E value="-0.0000026424" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="660" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="24558" />
+  <B value="549.61" />
+  <C value="-0.30995" />
+  <D value="0.000072708" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.677" />
+  <B value="4069.1" />
+  <C value="-45.972" />
+  <Tmin units="K"  value="399.47" />
+  <Tmax units="K"  value="581.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8977" />
+  <B value="-0.013855" />
+  <Tmin units="K"  value="165" />
+  <Tmax units="K"  value="528" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.449017" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.591582E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="407.7173" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.274" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="133.984" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0590577" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.948" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.391" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1405" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2492" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.356" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.391" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17840" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1405" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="2" />
+  </UnifacVLE>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="103"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="30453-31-7" />
+<Smiles name="SMILES"  value="CCCSSCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="3819" />
+<CompoundID name="Name"  value="Diphenyl disulfide" />
+<StructureFormula name="Structure"  value="(C6H5)SS(C6H5)" />
+<Family name="Family"  value="42" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="829.8" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3569000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.584" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.302" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="583.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="333.5" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="333.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.49" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="218.338" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.2076" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.569717" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.685E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20480" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.97E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.1193" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.447E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.628E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3.518E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="489300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.93E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.676E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="6.3025" />
+  <B value="-0.00053803" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="333.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5173" />
+  <B value="0.302" />
+  <C value="829.8" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="927.5541" />
+  <B value="-59320.23" />
+  <C value="-131.1073" />
+  <D value="0.000060625" />
+  <E value="2" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1805E+08" />
+  <B value="0.46278" />
+  <C value="0.25764" />
+  <D value="-0.22402" />
+  <E value="-0.0012437" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13316" />
+  <B value="948.21" />
+  <C value="-1.198" />
+  <D value="0.0037219" />
+  <E value="-0.0000045845" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="333.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="267470" />
+  <B value="28.884" />
+  <C value="0.54728" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50433" />
+  <B value="-472.23" />
+  <C value="13.469" />
+  <D value="-0.00011605" />
+  <E value="2.3877E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.32906" />
+  <B value="-464.91" />
+  <C value="-256.61" />
+  <D value="-253250" />
+  <E value="94392" />
+  <Tmin units="K"  value="414.9" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.832" />
+  <B value="1659.3" />
+  <C value="-0.039017" />
+  <D value="-1.1543E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.542E-08" />
+  <B value="0.87669" />
+  <C value="123.7" />
+  <D value="-14104" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.040762" />
+  <B value="-52.269" />
+  <C value="-1.2013" />
+  <D value="-0.001172" />
+  <E value="-1.6247E-07" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000021936" />
+  <B value="1.4453" />
+  <C value="-128.48" />
+  <D value="46604" />
+  <Tmin units="K"  value="583.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.086" />
+  <B value="1.222" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="829.8" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-72351" />
+  <B value="1102.3" />
+  <C value="-0.77741" />
+  <D value="0.00020116" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.007" />
+  <B value="3922.8" />
+  <C value="-169.93" />
+  <Tmin units="K"  value="516.35" />
+  <Tmax units="K"  value="725.32" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4659" />
+  <B value="-0.0085149" />
+  <Tmin units="K"  value="333.5" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.683837" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.562071E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="727.6315" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.302" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="143.191" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0940873" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.569717" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.2076" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6308" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.496" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.569717" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20480" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.2076" />
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="10"  value="0" />
+  </UnifacLLE>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="10" />
+  <group id="10"  value="2" />
+  <group id="201"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="882-33-7" />
+<Smiles name="SMILES"  value="C1=CC=C(C=C1)SSC2=CC=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1723" />
+<CompoundID name="Name"  value="Monoethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2NH2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="671.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="8030000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.225" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.284" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="444.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="283.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="283.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="13.3683" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="61.0831" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0603415" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.550815" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.826E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="31830" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.59E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03904" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.9E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.96E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.033E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="320000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.0496E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.289594" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.363E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.251" />
+  <B value="-0.0083183" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="113.46" />
+  <Tmax units="K"  value="283.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.648" />
+  <B value="0.18183" />
+  <C value="678.21" />
+  <D value="0.17947" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="678.2" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.09274" />
+  <B value="4319.625" />
+  <C value="-69.95024" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="678.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.012031E+08" />
+  <B value="1.976961" />
+  <C value="-4.399887" />
+  <D value="4.906054" />
+  <E value="-1.945886" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="595.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="15188" />
+  <B value="144.03" />
+  <C value="3.6142" />
+  <D value="-0.019701" />
+  <E value="0.000034165" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="283.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="78653.42" />
+  <B value="311.4162" />
+  <C value="-0.0607137" />
+  <D value="-2.713217E-06" />
+  <E value="-0.000017988" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="443.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50668" />
+  <B value="-516.86" />
+  <C value="12.167" />
+  <D value="0.00008641" />
+  <E value="2.8656E-10" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13635" />
+  <B value="-174.62" />
+  <C value="-48.233" />
+  <D value="-16405" />
+  <E value="4380.8" />
+  <Tmin units="K"  value="339.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-370.3" />
+  <B value="17780" />
+  <C value="54.624" />
+  <D value="-0.000051065" />
+  <E value="2" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="542.56" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.78881E-08" />
+  <B value="0.876532" />
+  <C value="75.00276" />
+  <D value="628.0161" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.37218" />
+  <B value="78.8" />
+  <C value="-1.5916" />
+  <D value="0.0043895" />
+  <E value="-0.0000053291" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="583.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-9539.9" />
+  <B value="0.39852" />
+  <C value="-1.7433E+09" />
+  <D value="-6.3715E+10" />
+  <Tmin units="K"  value="443.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.067139" />
+  <B value="-7.9" />
+  <C value="-1.90607" />
+  <D value="-0.0004719" />
+  <E value="-0.0000009533" />
+  <Tmin units="K"  value="270" />
+  <Tmax units="K"  value="600" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="11350" />
+  <B value="298.51" />
+  <C value="-0.17683" />
+  <D value="0.000043009" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.337" />
+  <B value="-10000" />
+  <C value="-113.16" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.027" />
+  <B value="3495.2" />
+  <C value="-109.62" />
+  <Tmin units="K"  value="370" />
+  <Tmax units="K"  value="545" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.9272" />
+  <B value="-0.020626" />
+  <Tmin units="K"  value="283.65" />
+  <Tmax units="K"  value="542.56" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.20696" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.140324E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="431.8628" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.284" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.539" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0284" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.01697" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.550815" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0603415" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.0436" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.976" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.446737" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="31830" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0603415" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="29"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="141-43-5" />
+<Smiles name="SMILES"  value="NCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1724" />
+<CompoundID name="Name"  value="Diethanolamine" />
+<StructureFormula name="Structure"  value="(HOCH2CH2)2NH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4720000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.349" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.243" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="542" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="301.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="301.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.102031" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="105.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.096244" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.991515" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.907E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29260" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06508" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.31E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.73E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.2574E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="429000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.5104E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.85" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.4439E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.174" />
+  <B value="-0.0048077" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="120.46" />
+  <Tmax units="K"  value="301.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5251" />
+  <B value="0.20924" />
+  <C value="736.61" />
+  <D value="0.18363" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="736.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.735" />
+  <B value="5441.7" />
+  <C value="-95.519" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="736.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.90134E+07" />
+  <B value="-1.865152" />
+  <C value="6.820965" />
+  <D value="-7.963053" />
+  <E value="3.251551" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="713.68" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5726.4" />
+  <B value="678.12" />
+  <C value="-1.2202" />
+  <D value="0.0028487" />
+  <E value="-0.0000029189" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="301.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="88234.68" />
+  <B value="483.2566" />
+  <C value="0.294569" />
+  <D value="-0.000214761" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="715" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92216" />
+  <B value="-624.1" />
+  <C value="12.938" />
+  <D value="-0.00014779" />
+  <E value="6.6337E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25716" />
+  <B value="-224.15" />
+  <C value="-187.3" />
+  <D value="-175320" />
+  <E value="231800" />
+  <Tmin units="K"  value="368.3" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.28702" />
+  <B value="6080.5" />
+  <C value="-3.8708" />
+  <D value="0.00001517" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="589.28" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7852E-08" />
+  <B value="0.89857" />
+  <C value="99.058" />
+  <D value="-7265.2" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.91328" />
+  <B value="16.824" />
+  <C value="-0.15997" />
+  <D value="0.0011516" />
+  <E value="-0.0000013756" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="673.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-10221" />
+  <B value="0.42596" />
+  <C value="-2.5172E+09" />
+  <D value="-7.9932E+10" />
+  <Tmin units="K"  value="541.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.146398" />
+  <B value="45.86264" />
+  <C value="-1.696703" />
+  <D value="-0.000291273" />
+  <E value="-1.334366E-07" />
+  <Tmin units="K"  value="301.15" />
+  <Tmax units="K"  value="736.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="9793.4" />
+  <B value="530.15" />
+  <C value="-0.31974" />
+  <D value="0.000077668" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500.1" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-13.04345" />
+  <B value="-12719.43" />
+  <C value="32.79742" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="715" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.735" />
+  <B value="5441.7" />
+  <C value="-95.519" />
+  <Tmin units="K"  value="430" />
+  <Tmax units="K"  value="640" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="8.1033" />
+  <B value="-0.031788" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="589.28" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.349015" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.174515E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="286.6829" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.243" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="105.77" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0453451" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.101108" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.991515" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.096244" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.2302" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.956" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.952882" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29260" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.096244" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="3" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="3" />
+  <group id="14"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-42-2" />
+<Smiles name="SMILES"  value="OCCNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1725" />
+<CompoundID name="Name"  value="Triethanolamine" />
+<StructureFormula name="Structure"  value="(HOCH2CH2)3N" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="787" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3590000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.472" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.202" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="613" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="294.35" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="294.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000287009" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="149.188" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132992" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.28411" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.219E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="27430" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.6E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08983" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.271E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.54E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.994E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="538000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.7191E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="2.21" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5025E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.5621" />
+  <B value="-0.0036262" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="117.74" />
+  <Tmax units="K"  value="294.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.028938" />
+  <B value="0.058014" />
+  <C value="787" />
+  <D value="0.099632" />
+  <Tmin units="K"  value="283.15" />
+  <Tmax units="K"  value="772.1" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="283.76" />
+  <B value="-24672" />
+  <C value="-37.048" />
+  <D value="0.000015689" />
+  <E value="2" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="772.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.354875E+08" />
+  <B value="0.343894" />
+  <C value="0.961738" />
+  <D value="-1.466285" />
+  <E value="0.442687" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="772.1" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8095.9" />
+  <B value="970.95" />
+  <C value="-1.7742" />
+  <D value="0.0042146" />
+  <E value="-0.0000044001" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="294.35" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="285560" />
+  <B value="313.35" />
+  <C value="6.351" />
+  <D value="0.016374" />
+  <E value="-0.000012842" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="633.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="114870" />
+  <B value="-616.04" />
+  <C value="13.509" />
+  <D value="-0.00048074" />
+  <E value="2.2464E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40996" />
+  <B value="-214.21" />
+  <C value="-459.31" />
+  <D value="-488000" />
+  <E value="535120" />
+  <Tmin units="K"  value="386.1" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="33.605" />
+  <B value="4399.7" />
+  <C value="-8.9203" />
+  <D value="0.000021038" />
+  <E value="2" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="617.68" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.0013E-08" />
+  <B value="0.95199" />
+  <C value="45.139" />
+  <D value="-3355.9" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.76863" />
+  <B value="26.11" />
+  <C value="-0.3374" />
+  <D value="0.0010847" />
+  <E value="-0.0000011937" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="723.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.043843" />
+  <B value="0.38395" />
+  <C value="6681.4" />
+  <D value="1202500" />
+  <Tmin units="K"  value="608.54" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.151321" />
+  <B value="49.37161" />
+  <C value="-1.697977" />
+  <D value="-0.00029278" />
+  <E value="-3.656577E-08" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="787" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-21521" />
+  <B value="918.12" />
+  <C value="-0.68139" />
+  <D value="0.00020714" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.59" />
+  <B value="-10000" />
+  <C value="-84.33" />
+  <Tmin units="K"  value="294.35" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.348" />
+  <B value="6603" />
+  <C value="-93.899" />
+  <Tmin units="K"  value="475.15" />
+  <Tmax units="K"  value="696.67" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.6572" />
+  <B value="-0.027285" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="617.68" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.493725" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="9.903848E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="162.2381" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.202" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="152.92" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.063602" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.131188" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.28411" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132992" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.3317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.932" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.28411" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27430" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132992" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="15"  value="3" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="6" />
+  <group id="15"  value="3" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="5" />
+  <group id="15"  value="3" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="5" />
+  <group id="14"  value="3" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="102-71-6" />
+<Smiles name="SMILES"  value="OCCN(CCO)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1741" />
+<CompoundID name="Name"  value="Ethylenediamine" />
+<StructureFormula name="Structure"  value="H2NCH2CH2NH2" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="592.95" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6290000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.206" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.337" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="390.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="281.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="284.29" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="677.511" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="60.0983" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0672757" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.472367" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7605E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25200" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04154" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.54E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.78E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.032E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321833" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="109700" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.3873" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.691E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.105" />
+  <B value="-0.007483" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="113.72" />
+  <Tmax units="K"  value="284.29" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77469" />
+  <B value="0.20588" />
+  <C value="592.95" />
+  <D value="0.20098" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="576.75" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.543" />
+  <B value="-9787.615" />
+  <C value="-16.57909" />
+  <D value="0.0000129717" />
+  <E value="2" />
+  <Tmin units="K"  value="262.15" />
+  <Tmax units="K"  value="593" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.5708E+07" />
+  <B value="1.0826" />
+  <C value="-0.65481" />
+  <D value="-0.27019" />
+  <E value="0.25065" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="576.75" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-16264" />
+  <B value="987.11" />
+  <C value="-4.4926" />
+  <D value="0.011566" />
+  <E value="-0.0000088487" />
+  <Tmin units="K"  value="25.91" />
+  <Tmax units="K"  value="265.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="143860" />
+  <B value="434.68" />
+  <C value="4.2425" />
+  <D value="0.021662" />
+  <E value="-0.000021123" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="390.41" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58340" />
+  <B value="-554.75" />
+  <C value="12.205" />
+  <D value="0.00022368" />
+  <E value="-7.8562E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.12638" />
+  <B value="-182.9" />
+  <C value="-38.105" />
+  <D value="-22568" />
+  <E value="37297" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1899.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.2076" />
+  <B value="2247.2" />
+  <C value="-0.93509" />
+  <D value="0.0000071501" />
+  <E value="2" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.0005E-07" />
+  <B value="0.70929" />
+  <C value="192.67" />
+  <D value="-6383.4" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.020715" />
+  <B value="-158.25" />
+  <C value="0.1953" />
+  <D value="-0.004385" />
+  <E value="0.0000010035" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="390.41" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.16528" />
+  <B value="0.18013" />
+  <C value="3835.1" />
+  <D value="1598900" />
+  <Tmin units="K"  value="390.41" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.031818" />
+  <B value="-71.601" />
+  <C value="-1.8001" />
+  <D value="-0.00127" />
+  <E value="-0.0000022345" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="576.75" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13229" />
+  <B value="307.67" />
+  <C value="-0.16317" />
+  <D value="0.000033422" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-16.9316" />
+  <B value="-8000" />
+  <C value="-48" />
+  <Tmin units="K"  value="271.9278" />
+  <Tmax units="K"  value="441.9278" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.176" />
+  <B value="3547.8" />
+  <C value="-57.244" />
+  <Tmin units="K"  value="356.35" />
+  <Tmax units="K"  value="528.01" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9318" />
+  <B value="-0.012454" />
+  <Tmin units="K"  value="284.29" />
+  <Tmax units="K"  value="483.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.2203" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.064853E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="771.612" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.337" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="56.533" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.7134" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0304359" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.17431" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.7384" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.472" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.1081" />
+<UnifacVLE name="UNIFAC" >
+  <group id="30"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="29"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="30"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="29"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="107-15-3" />
+<Smiles name="SMILES"  value="NCCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1743" />
+<CompoundID name="Name"  value="Diisopropylamine" />
+<StructureFormula name="Structure"  value="((CH3)2CH)2NH" />
+<Family name="Family"  value="35" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="522.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3200000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.031" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.308" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="357.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="176.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="176.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00447237" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="101.19" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.141919" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.388315" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.806E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15060" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07632" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.061E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.5E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="6.42E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="412000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6530000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98503" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.99E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.219" />
+  <B value="-0.0064246" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="70.74" />
+  <Tmax units="K"  value="176.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.72754" />
+  <B value="0.27918" />
+  <C value="522.15" />
+  <D value="0.29458" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="237.36" />
+  <B value="-12403" />
+  <C value="-33.276" />
+  <D value="0.000035165" />
+  <E value="2" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="523.1" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.537039E+07" />
+  <B value="-2.459337" />
+  <C value="14.73933" />
+  <D value="-19.70849" />
+  <E value="7.844199" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="197480" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="522.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="150380" />
+  <B value="276.56" />
+  <C value="5.7411" />
+  <D value="0.021881" />
+  <E value="-0.000021998" />
+  <Tmin units="K"  value="275" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="61641" />
+  <B value="-432.93" />
+  <C value="12.839" />
+  <D value="0.00037342" />
+  <E value="-1.4329E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.23056" />
+  <B value="-237.06" />
+  <C value="-36.183" />
+  <D value="970.06" />
+  <E value="-9593.3" />
+  <Tmin units="K"  value="261.55" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-7.0105" />
+  <B value="766.59" />
+  <C value="-0.57101" />
+  <D value="-0.0000016173" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.4462E-07" />
+  <B value="0.56686" />
+  <C value="334.62" />
+  <D value="-4787.5" />
+  <Tmin units="K"  value="357.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.046488" />
+  <B value="-113.84" />
+  <C value="-0.63846" />
+  <D value="-0.0065631" />
+  <E value="0.0000029442" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00048482" />
+  <B value="0.81453" />
+  <C value="349.64" />
+  <D value="151910" />
+  <Tmin units="K"  value="357.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.007975" />
+  <B value="58.206" />
+  <C value="-3.5469" />
+  <D value="0.0016772" />
+  <E value="-0.0000085096" />
+  <Tmin units="K"  value="176.85" />
+  <Tmax units="K"  value="504.88" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15354" />
+  <B value="697.81" />
+  <C value="-0.39592" />
+  <D value="0.000082987" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.374" />
+  <B value="2622.7" />
+  <C value="-60.838" />
+  <Tmin units="K"  value="313.77" />
+  <Tmax units="K"  value="468.43" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.4791" />
+  <B value="-0.011177" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="357.05" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.41328" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="2.408637E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="491.4633" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.308" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="134.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0523754" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.722239" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.388315" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.0308" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.244" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="34"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="4" />
+  <group id="3"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="34"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="4" />
+  <group id="3"  value="1" />
+  <group id="33"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-18-9" />
+<Smiles name="SMILES"  value="CC(C)NC(C)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1750" />
+<CompoundID name="Name"  value="N-aminoethyl piperazine" />
+<StructureFormula name="Structure"  value="H2NC2H4(NCH2CH2NHCH2CH2)" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="708" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3850000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.475" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="495.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="254.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="254.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0694812" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="129.203" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132257" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.557243" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.225E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21520" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08433" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.106E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.51E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.79E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="451000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.135E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.9891" />
+  <B value="-0.004913" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="101.66" />
+  <Tmax units="K"  value="254.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.66681" />
+  <B value="0.27137" />
+  <C value="708" />
+  <D value="0.27214" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.7429" />
+  <B value="-12067.23" />
+  <C value="-15.04915" />
+  <D value="6.424073E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.785579E+07" />
+  <B value="0.814708" />
+  <C value="0.0237006" />
+  <D value="-0.690218" />
+  <E value="0.260899" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1710" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="254.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="259220" />
+  <B value="331.04" />
+  <C value="3.608" />
+  <D value="0.023605" />
+  <E value="-0.000018248" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="524" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70888" />
+  <B value="-450.73" />
+  <C value="13.066" />
+  <D value="0.00018285" />
+  <E value="-6.5268E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26459" />
+  <B value="-324.05" />
+  <C value="-122" />
+  <D value="-62238" />
+  <E value="41430" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-497.9054" />
+  <B value="22666.52" />
+  <C value="74.36022" />
+  <D value="-0.0000702789" />
+  <E value="2" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.7705E-08" />
+  <B value="0.8233" />
+  <C value="132.06" />
+  <D value="-8963.7" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.089882" />
+  <B value="-7.0061" />
+  <C value="-1.0711" />
+  <D value="-0.00065668" />
+  <E value="-0.0000005629" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="493.55" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00012973" />
+  <B value="0.99814" />
+  <C value="630.8" />
+  <D value="21962" />
+  <Tmin units="K"  value="493.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017548" />
+  <B value="79.8" />
+  <C value="-3.1218" />
+  <D value="0.00097678" />
+  <E value="-0.0000034661" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="708" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-21376" />
+  <B value="821.45" />
+  <C value="-0.51136" />
+  <D value="0.00012139" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.46" />
+  <B value="4725.8" />
+  <C value="-61.815" />
+  <Tmin units="K"  value="425.35" />
+  <Tmax units="K"  value="636.34" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.7273" />
+  <B value="-0.017627" />
+  <Tmin units="K"  value="254.15" />
+  <Tmax units="K"  value="566.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.460517" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.133208E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.1157" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="125.591" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0587237" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.9852" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.557243" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132257" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.5591" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.424" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.557243" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21520" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="36"  value="1" />
+  <group id="33"  value="1" />
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="13"  value="4" />
+  <group id="29"  value="1" />
+  <group id="30"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="36"  value="1" />
+  <group id="33"  value="1" />
+  <group id="2"  value="3" />
+  <group id="30"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="35"  value="1" />
+  <group id="32"  value="1" />
+  <group id="2"  value="3" />
+  <group id="29"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="140-31-8" />
+<Smiles name="SMILES"  value="C1CNCCN1CCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2717" />
+<CompoundID name="Name"  value="Diethylenetriamine" />
+<StructureFormula name="Structure"  value="(H2NCH2CH2)2NH" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="676" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4220000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.426" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.257" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="480" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="234" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="234.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0524649" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="103.166" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.108088" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.70022" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.865E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22210" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07008" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.87E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5860000" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.07293E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="444000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.97E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.15789" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.08E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.376" />
+  <B value="-0.005886" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="93.66" />
+  <Tmax units="K"  value="234.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.75082" />
+  <B value="0.25686" />
+  <C value="676" />
+  <D value="0.285" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="100.1854" />
+  <B value="-10608.36" />
+  <C value="-10.96201" />
+  <D value="4.74905E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.200873E+07" />
+  <B value="-0.521717" />
+  <C value="2.922507" />
+  <D value="-3.785965" />
+  <E value="1.591946" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4677.2" />
+  <B value="636.48" />
+  <C value="-1.3531" />
+  <D value="0.0038102" />
+  <E value="-0.0000047797" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="234.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42291" />
+  <B value="-130.86" />
+  <C value="11.696" />
+  <D value="0.0024243" />
+  <E value="-0.0000011576" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="498" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73737" />
+  <B value="-451.7" />
+  <C value="12.705" />
+  <D value="0.00030197" />
+  <E value="-1.0181E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20692" />
+  <B value="-343.64" />
+  <C value="-96.031" />
+  <D value="-90293" />
+  <E value="176600" />
+  <Tmin units="K"  value="338" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.117" />
+  <B value="2075.7" />
+  <C value="-0.40711" />
+  <D value="6.9322E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7285E-08" />
+  <B value="0.85783" />
+  <C value="72.519" />
+  <D value="-3817.5" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078667" />
+  <B value="1.4114" />
+  <C value="-1.3167" />
+  <D value="-0.00041656" />
+  <E value="-8.7844E-07" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017737" />
+  <B value="0.94914" />
+  <C value="591.08" />
+  <D value="27011" />
+  <Tmin units="K"  value="480.25" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.021703" />
+  <B value="47.519" />
+  <C value="-2.6592" />
+  <D value="-0.000080847" />
+  <E value="-0.0000026267" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="676" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5303.6" />
+  <B value="589.73" />
+  <C value="-0.34089" />
+  <D value="0.000076082" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.134" />
+  <B value="5149.9" />
+  <C value="-36.704" />
+  <Tmin units="K"  value="420.19" />
+  <Tmax units="K"  value="606.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.32144" />
+  <B value="-0.01858" />
+  <Tmin units="K"  value="234.15" />
+  <Tmax units="K"  value="480.25" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.377332" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.169053E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.6035" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.257" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.082" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.048963" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.880407" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.70022" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.108088" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6198" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.70022" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.108088" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="30"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="29"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="30"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="29"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-40-0" />
+<Smiles name="SMILES"  value="NCCNCCN" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2732" />
+<CompoundID name="Name"  value="N-aminoethyl ethanolamine" />
+<StructureFormula name="Structure"  value="H2NCH2CH2NHCH2CH2OH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="698" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4460000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.387" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.252" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="517" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.151" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101519" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.04726" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.821E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29230" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06758" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.59E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.91E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="3810000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="447000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.74E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.8" />
+  <B value="-1.6252E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76828" />
+  <B value="0.25238" />
+  <C value="698" />
+  <D value="0.28565" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="214.43" />
+  <B value="-18769" />
+  <C value="-27.15" />
+  <D value="0.00001141" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="698" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2005E+08" />
+  <B value="0.3465" />
+  <C value="0.971" />
+  <D value="-1.7132" />
+  <E value="0.81091" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="65604" />
+  <B value="-121.74" />
+  <C value="11.802" />
+  <D value="0.0023485" />
+  <E value="-7.9478E-07" />
+  <Tmin units="K"  value="349" />
+  <Tmax units="K"  value="519" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="75533" />
+  <B value="-495.37" />
+  <C value="12.77" />
+  <D value="0.00015714" />
+  <E value="-4.9852E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.088651" />
+  <B value="-82.595" />
+  <C value="-177.94" />
+  <D value="449510" />
+  <E value="-2249800" />
+  <Tmin units="K"  value="349" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-27.66295" />
+  <B value="5326.5" />
+  <C value="1.362383" />
+  <D value="-1.706454E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="517" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2606E-07" />
+  <B value="0.76222" />
+  <C value="173.4" />
+  <D value="-8594.2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1257" />
+  <B value="-10.607" />
+  <C value="-0.88928" />
+  <D value="-0.00060102" />
+  <E value="-5.9478E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="517" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00019261" />
+  <B value="0.93731" />
+  <C value="615.43" />
+  <D value="23918" />
+  <Tmin units="K"  value="517" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.046419" />
+  <B value="12.352" />
+  <C value="-2.0792" />
+  <D value="-0.001082" />
+  <E value="-0.0000005495" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="675.64" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="2031.6" />
+  <B value="577.66" />
+  <C value="-0.34597" />
+  <D value="0.000080678" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-8.924" />
+  <B value="-9007" />
+  <C value="0" />
+  <Tmin units="K"  value="223.15" />
+  <Tmax units="K"  value="698" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.561" />
+  <B value="5615.5" />
+  <C value="-88.315" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="698" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="7.9594" />
+  <B value="-0.034824" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="517" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.363122" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.108882E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="319.0146" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.252" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.088" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.04649" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.0254" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.04726" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101519" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.925" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.452" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.04726" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101519" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  <group id="29"  value="1" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  <group id="29"  value="1" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="111-41-1" />
+<Smiles name="SMILES"  value="NCCNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2750" />
+<CompoundID name="Name"  value="P-phenylenediamine" />
+<StructureFormula name="Structure"  value="(C6H4)(NH2)2" />
+<Family name="Family"  value="36" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="796" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.377" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="540" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="419" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="413" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1388.21" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="108.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.102198" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.53864" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.733E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.1E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0644" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.08E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="9.12E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.1E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="349000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.68E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.33E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.426" />
+  <B value="-0.0033838" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="165.2" />
+  <Tmax units="K"  value="413" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.78274" />
+  <B value="0.24798" />
+  <C value="796" />
+  <D value="0.28573" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="120.7365" />
+  <B value="-13060.28" />
+  <C value="-13.71648" />
+  <D value="4.333592E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="796" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0783E+08" />
+  <B value="1.6408" />
+  <C value="-3.3392" />
+  <D value="3.5461" />
+  <E value="-1.4179" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5535.8" />
+  <B value="549.11" />
+  <C value="-0.79398" />
+  <D value="0.0014488" />
+  <E value="-0.0000011393" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="413" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="199750" />
+  <B value="494.23" />
+  <C value="5.1045" />
+  <D value="0.015817" />
+  <E value="-0.000010858" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="588" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58132" />
+  <B value="-482.33" />
+  <C value="12.882" />
+  <D value="-0.000085339" />
+  <E value="9.0492E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22693" />
+  <B value="-318.73" />
+  <C value="-138.3" />
+  <D value="-255620" />
+  <E value="535900" />
+  <Tmin units="K"  value="398" />
+  <Tmax units="K"  value="1830" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.9816" />
+  <B value="2291" />
+  <C value="-0.53494" />
+  <D value="2.8717E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.4679E-07" />
+  <B value="0.74191" />
+  <C value="224.79" />
+  <D value="-11478" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0030572" />
+  <B value="-268.6" />
+  <C value="0.38244" />
+  <D value="-0.0036549" />
+  <E value="8.2114E-07" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000070276" />
+  <B value="1.0203" />
+  <C value="189.91" />
+  <D value="62690" />
+  <Tmin units="K"  value="540" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012384" />
+  <B value="521.02" />
+  <C value="-5.5892" />
+  <D value="0.0063731" />
+  <E value="-0.0000072097" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="775.84" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13543" />
+  <B value="616.65" />
+  <C value="-0.42898" />
+  <D value="0.00010942" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.019" />
+  <B value="4568.9" />
+  <C value="-104.99" />
+  <Tmin units="K"  value="489.6" />
+  <Tmax units="K"  value="715.37" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0631" />
+  <B value="-0.011145" />
+  <Tmin units="K"  value="413" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.345195" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.183731E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="343.4411" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="104.66" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0460999" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.164317" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.53864" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.102198" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2452" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.232" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.53864" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24810" />
+<UnifacVLE name="UNIFAC" >
+  <group id="37"  value="2" />
+  <group id="10"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="43"  value="2" />
+  <group id="9"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="29"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="37"  value="2" />
+  <group id="10"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="36"  value="2" />
+  <group id="9"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="106-50-3" />
+<Smiles name="SMILES"  value="c1(N)ccc(N)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2752" />
+<CompoundID name="Name"  value="Piperazine" />
+<StructureFormula name="Structure"  value="-NHCH2CH2NHCH2CH2-" />
+<Family name="Family"  value="37" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="656.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.267" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.2652" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="419.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="379.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="379.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="26372.2" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.1356" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.129371" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.269668" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17960" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.90339E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05708" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.38E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.26E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.7E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.17E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.9" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.76E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.576" />
+  <B value="-0.0026896" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4074" />
+  <B value="0.323" />
+  <C value="638" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="143.27" />
+  <B value="-11245" />
+  <C value="-17.657" />
+  <D value="0.0000096236" />
+  <E value="2" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6945E+07" />
+  <B value="0.99602" />
+  <C value="-2.0069" />
+  <D value="2.4018" />
+  <E value="-0.97129" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="638" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-377150" />
+  <B value="4505.5" />
+  <C value="-17.799" />
+  <D value="0.035442" />
+  <E value="-0.000026404" />
+  <Tmin units="K"  value="295" />
+  <Tmax units="K"  value="384.6" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="32886.27" />
+  <B value="346.6189" />
+  <C value="0.473406" />
+  <D value="-0.000434168" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="638" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68463" />
+  <B value="-744.16" />
+  <C value="13.556" />
+  <D value="-0.00073698" />
+  <E value="1.7652E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16381" />
+  <B value="-201.87" />
+  <C value="-47.429" />
+  <D value="-2534.9" />
+  <E value="-24066" />
+  <Tmin units="K"  value="319" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="24.341" />
+  <B value="105.42" />
+  <C value="-5.6537" />
+  <D value="0.0000060109" />
+  <E value="2" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.0000022951" />
+  <B value="0.42453" />
+  <C value="937.27" />
+  <D value="-18307" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.029211" />
+  <B value="-334.85" />
+  <C value="0.86034" />
+  <D value="-0.0073343" />
+  <E value="0.0000029317" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014866" />
+  <B value="0.6319" />
+  <C value="-11.551" />
+  <D value="345800" />
+  <Tmin units="K"  value="419.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.0533278" />
+  <B value="1.232" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="656.3" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-51888" />
+  <B value="720.62" />
+  <C value="-0.52354" />
+  <D value="0.00013324" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.737" />
+  <B value="3535.7" />
+  <C value="-73.202" />
+  <Tmin units="K"  value="392.09" />
+  <Tmax units="K"  value="573.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.2893" />
+  <B value="-0.010036" />
+  <Tmin units="K"  value="379.15" />
+  <Tmax units="K"  value="419.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.304509" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.901426E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="712.6282" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.323" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.78" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0290647" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.720588" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.41376" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.129371" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7628" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.952" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.41376" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17960" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.129371" />
+<UnifacVLE name="UNIFAC" >
+  <group id="33"  value="2" />
+  <group id="2"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="13"  value="4" />
+  <group id="30"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="33"  value="2" />
+  <group id="2"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="32"  value="2" />
+  <group id="2"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-85-0" />
+<Smiles name="SMILES"  value="N1CCNCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6862" />
+<CompoundID name="Name"  value="Methylethanolamine" />
+<StructureFormula name="Structure"  value="CH3NHCH2CH2OH" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="630" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5300000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.25901" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.262" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="432.388" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="268.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="268.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="11.1091" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="75.112" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.082206" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.604" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.035E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25930" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.2E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05025" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.98E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.11E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="344000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8760000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.36403" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.01E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="16.367" />
+  <B value="-0.0076153" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.46" />
+  <Tmax units="K"  value="268.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.982868" />
+  <B value="0.255663" />
+  <C value="630" />
+  <D value="0.231239" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="101.1268" />
+  <B value="-9896.461" />
+  <C value="-11.12231" />
+  <D value="4.333878E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="630" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.3715E+07" />
+  <B value="1.1304" />
+  <C value="-1.7736" />
+  <D value="1.7333" />
+  <E value="-0.66961" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1490" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="268.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="65879.9" />
+  <B value="415.0007" />
+  <C value="0.00004583" />
+  <D value="2.109E-09" />
+  <E value="-0.0000030816" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="465" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50351" />
+  <B value="-464.92" />
+  <C value="12.353" />
+  <D value="0.00032078" />
+  <E value="-1.1521E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16573" />
+  <B value="-171.59" />
+  <C value="-61.863" />
+  <D value="-10326" />
+  <E value="-8446.2" />
+  <Tmin units="K"  value="315" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.8113" />
+  <B value="2947" />
+  <C value="-0.99316" />
+  <D value="4.0603E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.1919E-07" />
+  <B value="0.70935" />
+  <C value="211" />
+  <D value="-8775.4" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.011378" />
+  <B value="-96.849" />
+  <C value="-0.47605" />
+  <D value="-0.0029428" />
+  <E value="4.7129E-07" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00021463" />
+  <B value="0.94857" />
+  <C value="622.07" />
+  <D value="15372" />
+  <Tmin units="K"  value="431.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011359" />
+  <B value="194.04" />
+  <C value="-4.2168" />
+  <D value="0.0039447" />
+  <E value="-0.0000077857" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="610.98" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-3617.1" />
+  <B value="432.68" />
+  <C value="-0.26594" />
+  <D value="0.000065752" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.175" />
+  <B value="3679.7" />
+  <C value="-85.876" />
+  <Tmin units="K"  value="382.76" />
+  <Tmax units="K"  value="557.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="3.6732" />
+  <B value="-0.027534" />
+  <Tmin units="K"  value="268.65" />
+  <Tmax units="K"  value="431.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.267184" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.934566E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="331.2366" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.262" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="51.847" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337966" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.604" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.082206" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7825" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.524" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.604" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25930" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.082206" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="32"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="32"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="14"  value="1" />
+  <group id="31"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-83-1" />
+<Smiles name="SMILES"  value="CNCCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6863" />
+<CompoundID name="Name"  value="Dimethylethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2N(CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="571.82" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4140000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.331" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="214.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="214.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0376223" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.1362" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.101094" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.710963" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.46249E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22790" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06017" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.63E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.02E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.64E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="384000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.65E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.805" />
+  <B value="-0.0080578" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="85.66" />
+  <Tmax units="K"  value="214.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.87166" />
+  <B value="0.26133" />
+  <C value="571.82" />
+  <D value="0.28585" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="121.6094" />
+  <B value="-10451.37" />
+  <C value="-14.23754" />
+  <D value="0.000006927" />
+  <E value="2" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.9011E+07" />
+  <B value="0.56455" />
+  <C value="-0.031757" />
+  <D value="-0.28621" />
+  <E value="0.17191" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1800" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="214.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="66692" />
+  <B value="-55.489" />
+  <C value="10.897" />
+  <D value="0.0047237" />
+  <E value="-0.0000030382" />
+  <Tmin units="K"  value="299.91" />
+  <Tmax units="K"  value="425.91" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71203" />
+  <B value="-582.55" />
+  <C value="12.891" />
+  <D value="-0.000082299" />
+  <E value="3.2172E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21155" />
+  <B value="-189.81" />
+  <C value="-51.091" />
+  <D value="-19900" />
+  <E value="29045" />
+  <Tmin units="K"  value="285.91" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-15.376" />
+  <B value="3350.8" />
+  <C value="-0.34232" />
+  <D value="9.4723E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="457.46" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2904E-07" />
+  <B value="0.77955" />
+  <C value="165.36" />
+  <D value="-6888.3" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.083559" />
+  <B value="-10.945" />
+  <C value="-0.99458" />
+  <D value="-0.00097463" />
+  <E value="-8.1342E-07" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="407.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023136" />
+  <B value="0.92757" />
+  <C value="412.5" />
+  <D value="95357" />
+  <Tmin units="K"  value="407.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0127" />
+  <B value="89.713" />
+  <C value="-3.389" />
+  <D value="0.0019204" />
+  <E value="-0.0000065659" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="571.82" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-13496" />
+  <B value="570.3" />
+  <C value="-0.37223" />
+  <D value="0.000097254" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.242" />
+  <B value="3423.1" />
+  <C value="-87.75" />
+  <Tmin units="K"  value="345.92" />
+  <Tmax units="K"  value="500.29" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="4.354" />
+  <B value="-0.033071" />
+  <Tmin units="K"  value="214.15" />
+  <Tmax units="K"  value="457.46" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.32159" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.469723E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="296.5367" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="99.66" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0423961" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.892" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.710963" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.101094" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.4363" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.068" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.710963" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22790" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.101094" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  <group id="1"  value="2" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="15"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="1" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  <group id="1"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="14"  value="1" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-01-0" />
+<Smiles name="SMILES"  value="CN(C)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1760" />
+<CompoundID name="Name"  value="Nitromethane" />
+<StructureFormula name="Structure"  value="CH3NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="588" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5870000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.173" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.208" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.35" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="244.6" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="244.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="146.529" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="61.04" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.05396" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.348026" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.3544E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25700" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.15E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03047" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.69E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.48E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6940000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="275000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9703000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.13877" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.432E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="24.924" />
+  <B value="-0.011419" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="97.84" />
+  <Tmax units="K"  value="244.6" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.2195" />
+  <B value="0.22476" />
+  <C value="588.16" />
+  <D value="0.2787" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="588.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="93.27" />
+  <B value="-7345.1" />
+  <C value="-10.689" />
+  <D value="0.0000086998" />
+  <E value="2" />
+  <Tmin units="K"  value="244.15" />
+  <Tmax units="K"  value="588.15" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.160998E+07" />
+  <B value="-0.662124" />
+  <C value="2.67118" />
+  <D value="-2.702805" />
+  <E value="0.931262" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="570.07" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="24756" />
+  <B value="206.1" />
+  <C value="2.378" />
+  <D value="-0.021867" />
+  <E value="0.000053521" />
+  <Tmin units="K"  value="59.98" />
+  <Tmax units="K"  value="235.46" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="80588" />
+  <B value="345.48" />
+  <C value="6.7575" />
+  <D value="0.0084794" />
+  <E value="-0.0000031326" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="38681" />
+  <B value="-615.84" />
+  <C value="11.895" />
+  <D value="0.000023118" />
+  <E value="-2.9677E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.09758" />
+  <B value="-168.84" />
+  <C value="-42.71" />
+  <D value="-11412" />
+  <E value="-9713.2" />
+  <Tmin units="K"  value="294" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.411" />
+  <B value="1047.6" />
+  <C value="-0.095445" />
+  <D value="6.9198E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.2141E-07" />
+  <B value="0.64539" />
+  <C value="383.4" />
+  <D value="-1344.5" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.050889" />
+  <B value="-150.55" />
+  <C value="-0.2952" />
+  <D value="-0.0028403" />
+  <E value="-0.0000022109" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000031393" />
+  <B value="1.1117" />
+  <C value="-91.903" />
+  <D value="128140" />
+  <Tmin units="K"  value="374.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.04012" />
+  <B value="-18.606" />
+  <C value="-1.9227" />
+  <D value="-0.0017487" />
+  <E value="-7.2781E-07" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="570.07" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="34888" />
+  <B value="-9.1625" />
+  <C value="0.42886" />
+  <D value="-0.00055882" />
+  <E value="2.2116E-07" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="1000" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-17.75919" />
+  <B value="-10000" />
+  <C value="-118.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.699" />
+  <B value="3368.7" />
+  <C value="-43.222" />
+  <Tmin units="K"  value="353.09" />
+  <Tmax units="K"  value="515.82" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.171" />
+  <B value="-0.01068" />
+  <Tmin units="K"  value="244.6" />
+  <Tmax units="K"  value="374.35" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.16151" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.84307E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="134.6848" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.208" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="39.59" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.9816" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0238563" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.141871" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.348026" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.05396" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.0086" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.868" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.02291" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.348026" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="257" />
+<UnifacVLE name="UNIFAC" >
+  <group id="55"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="44"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="55"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="54"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-52-5" />
+<Smiles name="SMILES"  value="CN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1761" />
+<CompoundID name="Name"  value="Nitroethane" />
+<StructureFormula name="Structure"  value="CH3CH2NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.236" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="387.22" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="183.63" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="183.63" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0317711" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="75.0666" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0720005" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.672348" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.7949E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23090" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0407" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.02E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.022E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4900000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9853000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.53" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.25E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.737" />
+  <B value="-0.01194" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="73.45" />
+  <Tmax units="K"  value="183.63" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90007" />
+  <B value="0.22451" />
+  <C value="593.01" />
+  <D value="0.26359" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="593" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.03385" />
+  <B value="-7188.308" />
+  <C value="-8.680357" />
+  <D value="0.0000053196" />
+  <E value="2" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="595" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.428692E+07" />
+  <B value="0.314015" />
+  <C value="-0.225443" />
+  <D value="1.068645" />
+  <E value="-0.953684" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="549.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="5490.6" />
+  <B value="767.61" />
+  <C value="-3.7362" />
+  <D value="0.014315" />
+  <E value="-0.000017981" />
+  <Tmin units="K"  value="80" />
+  <Tmax units="K"  value="180" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67990" />
+  <B value="798.52" />
+  <C value="2.4874" />
+  <D value="0.02816" />
+  <E value="-0.000027001" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48198" />
+  <B value="-581.79" />
+  <C value="12.283" />
+  <D value="0.000023838" />
+  <E value="-2.2739E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.15234" />
+  <B value="-172.56" />
+  <C value="-45.201" />
+  <D value="-57753" />
+  <E value="108450" />
+  <Tmin units="K"  value="296.5" />
+  <Tmax units="K"  value="1892.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="15.403" />
+  <B value="194.75" />
+  <C value="-4.2217" />
+  <D value="0.0000078126" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4631E-07" />
+  <B value="0.70062" />
+  <C value="285.76" />
+  <D value="-1030.8" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1486" />
+  <B value="6.324" />
+  <C value="-1.0708" />
+  <D value="0.00009663" />
+  <E value="-0.0000015981" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0011064" />
+  <B value="0.69186" />
+  <C value="675.03" />
+  <D value="236860" />
+  <Tmin units="K"  value="387.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0024376" />
+  <B value="342.16" />
+  <C value="-7.0402" />
+  <D value="0.016727" />
+  <E value="-0.000027883" />
+  <Tmin units="K"  value="183.63" />
+  <Tmax units="K"  value="549.91" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="10768" />
+  <B value="271.27" />
+  <C value="-0.13688" />
+  <D value="0.000024329" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-22.38503" />
+  <B value="-9850" />
+  <C value="-59.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.48" />
+  <B value="3381.9" />
+  <C value="-47.509" />
+  <Tmin units="K"  value="334.45" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6566" />
+  <B value="-0.011965" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="387.22" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.215813" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.175128E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="236.916" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="60.11" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0298367" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.054543" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.380324" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0720005" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6829" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.408" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.380324" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23090" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0720005" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-24-3" />
+<Smiles name="SMILES"  value="CCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1762" />
+<CompoundID name="Name"  value="1-nitropropane" />
+<StructureFormula name="Structure"  value="CH3CH2CH2NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4350000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.249" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="404.33" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="169.16" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="169.16" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.000688982" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.0932" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0894679" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.412773" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.359E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21290" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.22E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05093" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.37E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.24E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="335000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="355600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9220000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.859E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.957" />
+  <B value="-0.010505" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.66" />
+  <Tmax units="K"  value="169.16" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.85075" />
+  <B value="0.24483" />
+  <C value="605" />
+  <D value="0.27413" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="38.65807" />
+  <B value="-5750.644" />
+  <C value="-2.115655" />
+  <D value="-1.225423E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.6307E+07" />
+  <B value="0.47767" />
+  <C value="-0.18338" />
+  <D value="0.057255" />
+  <E value="-0.028311" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="131170" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="605" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-8835.6" />
+  <B value="176.43" />
+  <C value="9.53" />
+  <D value="0.0096176" />
+  <E value="-0.0000099253" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="57745" />
+  <B value="-538.37" />
+  <C value="12.483" />
+  <D value="0.00011202" />
+  <E value="-5.1502E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.18935" />
+  <B value="-215.56" />
+  <C value="-56.681" />
+  <D value="-61127" />
+  <E value="111790" />
+  <Tmin units="K"  value="302.5" />
+  <Tmax units="K"  value="1934.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-19.997" />
+  <B value="1653" />
+  <C value="1.2605" />
+  <D value="0.0000015194" />
+  <E value="2" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7108E-07" />
+  <B value="0.7401" />
+  <C value="220.03" />
+  <D value="-15.073" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.068381" />
+  <B value="13.221" />
+  <C value="-1.3628" />
+  <D value="-0.00024357" />
+  <E value="-0.0000012535" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0022117" />
+  <B value="0.61538" />
+  <C value="875.34" />
+  <D value="312410" />
+  <Tmin units="K"  value="404.33" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035529" />
+  <B value="0.58517" />
+  <C value="-2.3314" />
+  <D value="-0.00099947" />
+  <E value="-0.0000011138" />
+  <Tmin units="K"  value="169.16" />
+  <Tmax units="K"  value="605" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8797.2" />
+  <B value="373.51" />
+  <C value="-0.1991" />
+  <D value="0.000038609" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.552" />
+  <B value="3564.5" />
+  <C value="-49.073" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="536.18" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6872" />
+  <B value="-0.011404" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="404.33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.270875" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.535366E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="264.8416" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.249" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="80.63" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0376918" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.006497" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.412773" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0894679" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3573" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.412773" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21290" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0894679" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="108-03-2" />
+<Smiles name="SMILES"  value="CCCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1763" />
+<CompoundID name="Name"  value="2-nitropropane" />
+<StructureFormula name="Structure"  value="CH3CH(NO2)CH3" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="595" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4450000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.288" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.26" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="393.4" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="181.83" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="181.83" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.021584" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="89.0932" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0905535" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.383568" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.273E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.24E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.36E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.39E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.2803E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="347700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7790000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.846E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.679" />
+  <B value="-0.0096732" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.73" />
+  <Tmax units="K"  value="181.83" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27031" />
+  <B value="0.13967" />
+  <C value="595" />
+  <D value="0.17588" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="57.04038" />
+  <B value="-6262.318" />
+  <C value="-4.993807" />
+  <D value="1.61213E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.543435E+07" />
+  <B value="0.377393" />
+  <C value="0.18894" />
+  <D value="-0.0391329" />
+  <E value="-0.243258" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="131170" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="595" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="67863" />
+  <B value="138.63" />
+  <C value="8.8679" />
+  <D value="0.01051" />
+  <E value="-0.00001051" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="58543" />
+  <B value="-558.36" />
+  <C value="12.559" />
+  <D value="0.000040137" />
+  <E value="-3.1383E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17935" />
+  <B value="-204.53" />
+  <C value="-50.86" />
+  <D value="-56062" />
+  <E value="103000" />
+  <Tmin units="K"  value="297" />
+  <Tmax units="K"  value="1899" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-26.48" />
+  <B value="1441.6" />
+  <C value="2.6439" />
+  <D value="-0.0000074647" />
+  <E value="2" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000005644" />
+  <B value="0.32789" />
+  <C value="1291.7" />
+  <D value="6279.8" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.085284" />
+  <B value="-50.915" />
+  <C value="-1.467" />
+  <D value="-0.0035856" />
+  <E value="-0.000001687" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0042281" />
+  <B value="0.52696" />
+  <C value="790.25" />
+  <D value="431610" />
+  <Tmin units="K"  value="393.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015626" />
+  <B value="18.663" />
+  <C value="-2.7222" />
+  <D value="-0.00050234" />
+  <E value="-0.0000033626" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="594" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="7449" />
+  <B value="381.45" />
+  <C value="-0.20531" />
+  <D value="0.000039841" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.572" />
+  <B value="3562.3" />
+  <C value="-38.858" />
+  <Tmin units="K"  value="363.15" />
+  <Tmax units="K"  value="528.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9011" />
+  <B value="-0.014208" />
+  <Tmin units="K"  value="181.83" />
+  <Tmax units="K"  value="393.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.270821" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.20499E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="304.3226" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.26" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="80.63" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0372943" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.994733" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.383568" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0905535" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3573" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.948" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.383568" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0905535" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="45"  value="1" />
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+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-46-9" />
+<Smiles name="SMILES"  value="CC(N(=O)=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1769" />
+<CompoundID name="Name"  value="1-nitrobutane" />
+<StructureFormula name="Structure"  value="CH3(CH2)3NO2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="623" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.338" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.248" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="425.92" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="191.82" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="191.82" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00329301" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="103.12" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.106476" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.454584" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.558E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20780" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.13E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06116" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.72E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.439E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.5E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="379100" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.27E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.08195" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.46965E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="13.265" />
+  <B value="-0.0086439" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="76.73" />
+  <Tmax units="K"  value="191.82" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.709" />
+  <B value="0.24401" />
+  <C value="623" />
+  <D value="0.28339" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="275.2044" />
+  <B value="-15483.84" />
+  <C value="-38.70231" />
+  <D value="0.0000386" />
+  <E value="2" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="623" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.525605E+07" />
+  <B value="-1.025854" />
+  <C value="4.47262" />
+  <D value="-4.675607" />
+  <E value="1.466497" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1900" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="191.82" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="56152" />
+  <B value="6.6387" />
+  <C value="10.762" />
+  <D value="0.003942" />
+  <E value="-0.0000013791" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="467.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="69545" />
+  <B value="-548.77" />
+  <C value="12.729" />
+  <D value="0.0001233" />
+  <E value="-6.7656E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.22917" />
+  <B value="-262.47" />
+  <C value="-73.827" />
+  <D value="-67561" />
+  <E value="117970" />
+  <Tmin units="K"  value="311.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4776" />
+  <B value="1274.9" />
+  <C value="-0.51437" />
+  <D value="0.0000019485" />
+  <E value="2" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0308E-08" />
+  <B value="0.82266" />
+  <C value="144.36" />
+  <D value="-9193.7" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.088752" />
+  <B value="4.014" />
+  <C value="-1.2388" />
+  <D value="-0.00043694" />
+  <E value="-0.0000009691" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013665" />
+  <B value="0.98745" />
+  <C value="630.3" />
+  <D value="15608" />
+  <Tmin units="K"  value="425.92" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.043136" />
+  <B value="2.5171" />
+  <C value="-2.3094" />
+  <D value="-0.00084543" />
+  <E value="-8.2017E-07" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="600.31" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1162" />
+  <B value="505.07" />
+  <C value="-0.28865" />
+  <D value="0.000060633" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.871" />
+  <B value="3253.5" />
+  <C value="-77.411" />
+  <Tmin units="K"  value="383.15" />
+  <Tmax units="K"  value="554.92" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.177" />
+  <B value="-0.015145" />
+  <Tmin units="K"  value="191.82" />
+  <Tmax units="K"  value="425.92" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.327091" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.926947E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="268.7988" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.248" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="101.15" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0450147" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.978442" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.454584" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106476" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0317" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.488" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.454584" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20780" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106476" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="56"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="45"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="3" />
+  <group id="33"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="56"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="2" />
+  <group id="55"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="627-05-4" />
+<Smiles name="SMILES"  value="CCCCN(=O)=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1778" />
+<CompoundID name="Name"  value="O-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="720" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="494.85" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="269.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="269.98" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.72928" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.118442" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.487824" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.309E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21420" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.25E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.715E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.148E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2029" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5914E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.967" />
+  <B value="-0.0045272" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="107.99" />
+  <Tmax units="K"  value="269.98" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.49527" />
+  <B value="0.21852" />
+  <C value="720" />
+  <D value="0.27202" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="110.496" />
+  <B value="-10356.21" />
+  <C value="-12.86215" />
+  <D value="7.080827E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="265" />
+  <Tmax units="K"  value="720" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.853006E+07" />
+  <B value="0.959622" />
+  <C value="-1.263212" />
+  <D value="1.073123" />
+  <E value="-0.436452" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="23321" />
+  <B value="179.27" />
+  <C value="6.0748" />
+  <D value="-0.034038" />
+  <E value="0.000061259" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="269.98" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="167320" />
+  <B value="675.67" />
+  <C value="2.8482" />
+  <D value="0.023742" />
+  <E value="-0.00001748" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="540" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25342" />
+  <B value="-324.82" />
+  <C value="-137.34" />
+  <D value="-228340" />
+  <E value="439210" />
+  <Tmin units="K"  value="360" />
+  <Tmax units="K"  value="1980" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-227.78" />
+  <B value="9560.6" />
+  <C value="33.954" />
+  <D value="-0.00004379" />
+  <E value="2" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.9111E-08" />
+  <B value="0.92063" />
+  <C value="61.279" />
+  <D value="-2619.3" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.28005" />
+  <B value="20.455" />
+  <C value="-0.90478" />
+  <D value="0.000049377" />
+  <E value="-4.8022E-07" />
+  <Tmin units="K"  value="216" />
+  <Tmax units="K"  value="576" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013501" />
+  <B value="0.95252" />
+  <C value="632.43" />
+  <D value="27080" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.07846" />
+  <B value="-32.848" />
+  <C value="-1.5968" />
+  <D value="-0.0015031" />
+  <E value="3.3724E-07" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="720" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-20.0046" />
+  <B value="-10000" />
+  <C value="-82.2" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.718" />
+  <B value="4428.1" />
+  <C value="-60.639" />
+  <Tmin units="K"  value="435.78" />
+  <Tmax units="K"  value="645" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.2034" />
+  <B value="-0.01309" />
+  <Tmin units="K"  value="269.98" />
+  <Tmax units="K"  value="576" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.543371E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="480.8555" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.28" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-0.61215" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.054527" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.057273" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.487824" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.118442" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="1.2945" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.487824" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21420" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.118442" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="88-72-2" />
+<Smiles name="SMILES"  value="c1(C)c(N(=O)=O)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1779" />
+<CompoundID name="Name"  value="P-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="736" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="511.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.05" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="324.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="40.4829" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.121894" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.542405" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.371E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21110" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.48E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.1E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.554E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.6676E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.178424" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.553E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.955" />
+  <B value="-0.0051608" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="324.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.76802" />
+  <B value="0.27463" />
+  <C value="736" />
+  <D value="0.3126" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="720.99" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.4618" />
+  <B value="-11239.6" />
+  <C value="-13.3636" />
+  <D value="5.387653E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="743" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.550237E+08" />
+  <B value="1.89329" />
+  <C value="-1.014085" />
+  <D value="-0.0168324" />
+  <E value="-0.442436" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="720.99" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8048.3" />
+  <B value="609060" />
+  <C value="-6008.8" />
+  <D value="19.783" />
+  <E value="-0.021716" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="90280" />
+  <B value="945.96" />
+  <C value="3.9359" />
+  <D value="0.019415" />
+  <E value="-0.000013352" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="557.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.3096" />
+  <B value="-430.56" />
+  <C value="-175.46" />
+  <D value="-349500" />
+  <E value="685920" />
+  <Tmin units="K"  value="371.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-164.01" />
+  <B value="7455.2" />
+  <C value="23.73" />
+  <D value="-0.000026464" />
+  <E value="2" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="594.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.1207E-08" />
+  <B value="0.91154" />
+  <C value="64.997" />
+  <D value="-92.66" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.1404" />
+  <B value="23.385" />
+  <C value="-1.2743" />
+  <D value="-0.000067534" />
+  <E value="-5.8708E-07" />
+  <Tmin units="K"  value="220.8" />
+  <Tmax units="K"  value="580.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000064675" />
+  <B value="1.0353" />
+  <C value="391.41" />
+  <D value="37904" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.017488" />
+  <B value="-28.223" />
+  <C value="-2.4034" />
+  <D value="-0.00054634" />
+  <E value="-0.0000022569" />
+  <Tmin units="K"  value="324.75" />
+  <Tmax units="K"  value="720.99" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.94037" />
+  <B value="-10000" />
+  <C value="-66.6" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.068" />
+  <B value="4086.9" />
+  <C value="-83.592" />
+  <Tmin units="K"  value="445" />
+  <Tmax units="K"  value="654.95" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.6317" />
+  <B value="-0.0093276" />
+  <Tmin units="K"  value="320.15" />
+  <Tmax units="K"  value="594.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.328918E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="238.341" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.054156" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.050112" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.542405" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.121894" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.425222" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21110" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.121894" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-99-0" />
+<Smiles name="SMILES"  value="c1(C)ccc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1780" />
+<CompoundID name="Name"  value="M-nitrotoluene" />
+<StructureFormula name="Structure"  value="C6H4(NO2)(CH3)" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="734" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.441" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="504" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="288.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="289.2" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="6.84272" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="137.136" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.118913" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.491987" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.468E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.41E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07379" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.27E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.502E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="380800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.406E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.21" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.5696E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.744" />
+  <B value="-0.0041348" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.68" />
+  <Tmax units="K"  value="289.2" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50673" />
+  <B value="0.22353" />
+  <C value="734" />
+  <D value="0.25642" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="734" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="174.0974" />
+  <B value="-13266.49" />
+  <C value="-22.50751" />
+  <D value="0.0000146534" />
+  <E value="2" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="734" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.23147E+08" />
+  <B value="2.991682" />
+  <C value="-5.10633" />
+  <D value="3.432299" />
+  <E value="-0.844633" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="734" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="13048" />
+  <B value="562.7" />
+  <C value="1.2374" />
+  <D value="-0.0092642" />
+  <E value="0.000017191" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="289.2" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="165480" />
+  <B value="678.6" />
+  <C value="2.6976" />
+  <D value="0.024579" />
+  <E value="-0.000018568" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="550.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126830" />
+  <B value="-1053.5" />
+  <C value="13.982" />
+  <D value="-0.0011308" />
+  <E value="3.2272E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.2479" />
+  <B value="-319.54" />
+  <C value="-155.56" />
+  <D value="-309650" />
+  <E value="619890" />
+  <Tmin units="K"  value="367" />
+  <Tmax units="K"  value="1687" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-219.04" />
+  <B value="9323.8" />
+  <C value="32.506" />
+  <D value="-0.000040609" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.6657E-08" />
+  <B value="0.9283" />
+  <C value="56.912" />
+  <D value="-1935.8" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.16653" />
+  <B value="2.5129" />
+  <C value="-1.0577" />
+  <D value="-0.0003596" />
+  <E value="-3.0249E-07" />
+  <Tmin units="K"  value="289.2" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013182" />
+  <B value="0.95336" />
+  <C value="611.68" />
+  <D value="32295" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.028468" />
+  <B value="-35.938" />
+  <C value="-2.0197" />
+  <D value="-0.0016065" />
+  <E value="-6.1813E-07" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="710.53" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13539" />
+  <B value="550.05" />
+  <C value="-0.32279" />
+  <D value="0.000069576" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.29583" />
+  <B value="-10000" />
+  <C value="-71.4" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.046" />
+  <B value="4823.7" />
+  <C value="-47.238" />
+  <Tmin units="K"  value="444.4" />
+  <Tmax units="K"  value="645" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.7259" />
+  <B value="-0.011764" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="587.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.398619" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.686394E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="459.4169" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="107.72" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0536831" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.052241" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.491987" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.118913" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.2801" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.272" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.491987" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.118913" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="47"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="34"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="12"  value="1" />
+  <group id="58"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="11"  value="1" />
+  <group id="57"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-08-1" />
+<Smiles name="SMILES"  value="c1(C)cc(N(=O)=O)ccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2743" />
+<CompoundID name="Name"  value="2,4-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="814" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="553" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="333" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="342.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.8719" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.137448" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.712571" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.07E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.44E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.36E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.18E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.0126E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.416E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4055" />
+  <B value="-0.00020398" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.5108" />
+  <B value="0.24037" />
+  <C value="814" />
+  <D value="0.26806" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="789.19" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="128.9329" />
+  <B value="-13393.44" />
+  <C value="-15.15736" />
+  <D value="5.597038E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2919E+08" />
+  <B value="1.3248" />
+  <C value="1.0872" />
+  <D value="-4.8737" />
+  <E value="2.858" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="789.19" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="48.36" />
+  <B value="3539.4" />
+  <C value="-18.134" />
+  <D value="0.041289" />
+  <E value="-0.000035254" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88958" />
+  <B value="1324.4" />
+  <C value="2.7528" />
+  <D value="0.019721" />
+  <E value="-0.000011079" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31157" />
+  <B value="-359" />
+  <C value="-324.62" />
+  <D value="-771130" />
+  <E value="1449700" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-41.408" />
+  <B value="3947.7" />
+  <C value="4.2203" />
+  <D value="-0.0000035178" />
+  <E value="2" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9809E-08" />
+  <B value="1.0159" />
+  <C value="22.316" />
+  <D value="-3670.3" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.057001" />
+  <B value="-67.01" />
+  <C value="-0.90194" />
+  <D value="-0.0013614" />
+  <E value="-3.0209E-08" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011852" />
+  <B value="0.95914" />
+  <C value="734.05" />
+  <D value="13896" />
+  <Tmin units="K"  value="590" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.076326" />
+  <B value="-4.6299" />
+  <C value="-1.6478" />
+  <D value="-0.0012028" />
+  <E value="7.9965E-08" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="789.19" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.142" />
+  <B value="7851.3" />
+  <C value="30.661" />
+  <Tmin units="K"  value="490" />
+  <Tmax units="K"  value="714.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.46" />
+  <B value="-0.013192" />
+  <Tmin units="K"  value="342.65" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.938808E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="336.1519" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.065157" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.376363" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.712571" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.137448" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.712571" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21470" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.137448" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="121-14-2" />
+<Smiles name="SMILES"  value="c1(C)c(N(=O)=O)cc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2744" />
+<CompoundID name="Name"  value="2,6-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="780" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="553" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="339" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="337.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="24.9565" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.136568" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.714206" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.887E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.37E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.86E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.32E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.429E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.4498" />
+  <B value="-1.9264E-08" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="297.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.27332" />
+  <B value="0.17415" />
+  <C value="780" />
+  <D value="0.22386" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="747.26" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="115.7657" />
+  <B value="-12082.2" />
+  <C value="-13.31782" />
+  <D value="5.09858E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.041715E+08" />
+  <B value="1.247529" />
+  <C value="0.0309575" />
+  <D value="-2.851863" />
+  <E value="1.938855" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8264.5" />
+  <B value="917.86" />
+  <C value="-1.527" />
+  <D value="0.0032636" />
+  <E value="-0.0000030408" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="337.85" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="163490" />
+  <B value="785.69" />
+  <C value="5.0684" />
+  <D value="0.014589" />
+  <E value="-0.0000070833" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.5317" />
+  <B value="-704.49" />
+  <C value="-124.14" />
+  <D value="-895340" />
+  <E value="2377800" />
+  <Tmin units="K"  value="385" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-70.386" />
+  <B value="5310.9" />
+  <C value="8.6262" />
+  <D value="-0.0000081126" />
+  <E value="2" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.9592E-08" />
+  <B value="0.88167" />
+  <C value="135.78" />
+  <D value="-11605" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.039901" />
+  <B value="-99.466" />
+  <C value="-0.76681" />
+  <D value="-0.0019329" />
+  <E value="1.8512E-07" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015932" />
+  <B value="0.92355" />
+  <C value="690.15" />
+  <D value="19720" />
+  <Tmin units="K"  value="558" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012803" />
+  <B value="255.04" />
+  <C value="-4.0121" />
+  <D value="0.0034159" />
+  <E value="-0.0000055401" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="770" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.68" />
+  <B value="10368" />
+  <C value="125.19" />
+  <Tmin units="K"  value="470" />
+  <Tmax units="K"  value="701.77" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-0.49935" />
+  <B value="-0.0153" />
+  <Tmin units="K"  value="337.85" />
+  <Tmax units="K"  value="558" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.057052E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.1365" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0654633" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.383668" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.714206" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.136568" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.714206" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.136568" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="606-20-2" />
+<Smiles name="SMILES"  value="c1c(N(=O)=O)c(C)c(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2745" />
+<CompoundID name="Name"  value="3,4-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="842" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.237" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="610" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="331.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="331.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2.66366" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.139231" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.709209" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.859E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21410" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.13E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="3.58E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.59E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.08E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.466E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1125" />
+  <B value="-0.0030536" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="132.58" />
+  <Tmax units="K"  value="332" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.48567" />
+  <B value="0.23619" />
+  <C value="842" />
+  <D value="0.28583" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.33838" />
+  <B value="-11025.98" />
+  <C value="-5.109566" />
+  <D value="1.997931E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.888359E+07" />
+  <B value="-1.153409" />
+  <C value="5.750305" />
+  <D value="-8.495374" />
+  <E value="4.124815" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8196.6" />
+  <B value="920.11" />
+  <C value="-1.551" />
+  <D value="0.0033644" />
+  <E value="-0.0000031849" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="331.45" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="144440" />
+  <B value="677.88" />
+  <C value="6.2554" />
+  <D value="0.011911" />
+  <E value="-0.000005235" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.28426" />
+  <B value="-305.85" />
+  <C value="-425.92" />
+  <D value="-1893800" />
+  <E value="4300100" />
+  <Tmin units="K"  value="421" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.817" />
+  <B value="2734.2" />
+  <C value="0.029663" />
+  <D value="-2.4471E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.8655E-08" />
+  <B value="0.96106" />
+  <C value="104.06" />
+  <D value="-10189" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.082395" />
+  <B value="-25.284" />
+  <C value="-1.0996" />
+  <D value="-0.00075328" />
+  <E value="-2.6136E-07" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001043" />
+  <B value="0.96342" />
+  <C value="702.61" />
+  <D value="22699" />
+  <Tmin units="K"  value="610" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.012927" />
+  <B value="157.29" />
+  <C value="-3.3747" />
+  <D value="0.0014221" />
+  <E value="-0.000003365" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="842" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.341" />
+  <B value="10770" />
+  <C value="116.96" />
+  <Tmin units="K"  value="519.55" />
+  <Tmax units="K"  value="740" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.4661" />
+  <B value="-0.013088" />
+  <Tmin units="K"  value="331.45" />
+  <Tmax units="K"  value="610" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.261456E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="308.5456" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0651537" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.348237" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.709209" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.139231" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.709209" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21410" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.139231" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="610-39-9" />
+<Smiles name="SMILES"  value="c1c(N(=O)=O)c(N(=O)=O)cc(C)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2748" />
+<CompoundID name="Name"  value="2,5-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="814" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.237" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="590" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="323.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="3.04164" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.135666" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.712285" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.997E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21390" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.93E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.36E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.03E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.446E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.3517" />
+  <B value="-0.0032112" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="129.39" />
+  <Tmax units="K"  value="325.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50237" />
+  <B value="0.23693" />
+  <C value="814" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="90.89499" />
+  <B value="-12036.13" />
+  <C value="-9.395524" />
+  <D value="2.853055E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.5817E+07" />
+  <B value="-1.8578" />
+  <C value="6.6656" />
+  <D value="-8.4526" />
+  <E value="3.8136" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8111.1" />
+  <B value="922.97" />
+  <C value="-1.582" />
+  <D value="0.0034965" />
+  <E value="-0.0000033776" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="323.48" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="152220" />
+  <B value="711.2" />
+  <C value="5.8598" />
+  <D value="0.012789" />
+  <E value="-0.0000058246" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.34331" />
+  <B value="-415.02" />
+  <C value="-293.07" />
+  <D value="-272710" />
+  <E value="53719" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.391" />
+  <B value="2604.7" />
+  <C value="-0.5024" />
+  <D value="5.1688E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.8924E-08" />
+  <B value="0.93015" />
+  <C value="82.835" />
+  <D value="-8099.3" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.078898" />
+  <B value="-29.065" />
+  <C value="-1.0796" />
+  <D value="-0.00084649" />
+  <E value="-2.5074E-07" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0001568" />
+  <B value="0.92031" />
+  <C value="704.11" />
+  <D value="20197" />
+  <Tmin units="K"  value="590" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.014691" />
+  <B value="149.15" />
+  <C value="-3.2422" />
+  <D value="0.0014191" />
+  <E value="-0.0000035371" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="814" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="25.215" />
+  <B value="8927.2" />
+  <C value="62.336" />
+  <Tmin units="K"  value="489.39" />
+  <Tmax units="K"  value="710.73" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.0809" />
+  <B value="-0.013945" />
+  <Tmin units="K"  value="323.48" />
+  <Tmax units="K"  value="590" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.261456E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.2852" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.237" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0651127" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.377369" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.712285" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.135666" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.712285" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21390" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.135666" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="619-15-8" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)c(C)cc(N(=O)=O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2749" />
+<CompoundID name="Name"  value="3,5-dinitrotoluene" />
+<StructureFormula name="Structure"  value="CH3(C6H3)(NO2)2" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="800" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2150000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.487" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="588" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="366.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="365.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="35.4684" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="182.134" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.140577" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.702302" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.314E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21440" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.44E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08807" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.112E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.71E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.34E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="414000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.29E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.437E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.0259" />
+  <B value="-0.0027445" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="146.26" />
+  <Tmax units="K"  value="365.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.45727" />
+  <B value="0.227" />
+  <C value="814.01" />
+  <D value="0.27155" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="814" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="63.61855" />
+  <B value="-10355.64" />
+  <C value="-5.423477" />
+  <D value="2.374318E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="814" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.989509E+07" />
+  <B value="-0.991558" />
+  <C value="3.414071" />
+  <D value="-4.448985" />
+  <E value="2.238465" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="790.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="8551.8" />
+  <B value="908.56" />
+  <C value="-1.4311" />
+  <D value="0.0028756" />
+  <E value="-0.0000025075" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="365.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="211860" />
+  <B value="-5.3058" />
+  <C value="8.1208" />
+  <D value="0.009225" />
+  <E value="-0.0000034389" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="94512" />
+  <B value="-582.56" />
+  <C value="13.27" />
+  <D value="-0.00026587" />
+  <E value="5.3735E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.31159" />
+  <B value="-362.24" />
+  <C value="-319.87" />
+  <D value="-785450" />
+  <E value="1509600" />
+  <Tmin units="K"  value="407" />
+  <Tmax units="K"  value="1871" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-0.25652" />
+  <B value="2097.7" />
+  <C value="-2.0147" />
+  <D value="0.0000014987" />
+  <E value="2" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7633E-08" />
+  <B value="0.90246" />
+  <C value="116.57" />
+  <D value="-8469.6" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.029795" />
+  <B value="-134.57" />
+  <C value="-0.63203" />
+  <D value="-0.0021751" />
+  <E value="3.0388E-07" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00014433" />
+  <B value="0.92815" />
+  <C value="684.42" />
+  <D value="24021" />
+  <Tmin units="K"  value="588" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.02022" />
+  <B value="191.13" />
+  <C value="-3.4062" />
+  <D value="0.001628" />
+  <E value="-0.0000032376" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="790.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14258" />
+  <B value="768.51" />
+  <C value="-0.52986" />
+  <D value="0.00013246" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.061" />
+  <B value="7289.5" />
+  <C value="-7.1177" />
+  <Tmin units="K"  value="483.64" />
+  <Tmax units="K"  value="719.61" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8766" />
+  <B value="-0.012458" />
+  <Tmin units="K"  value="365.65" />
+  <Tmax units="K"  value="588" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.483027" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.219819E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="297.6324" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="122.08" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0647636" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.370051" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.702302" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.140577" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.7" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.376" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.702302" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21440" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.140577" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="47"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="3" />
+  <group id="11"  value="3" />
+  <group id="34"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="3" />
+  <group id="12"  value="1" />
+  <group id="58"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="3" />
+  <group id="11"  value="1" />
+  <group id="57"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="618-85-9" />
+<Smiles name="SMILES"  value="c1(C)cc(N(=O)=O)cc(N(=O)=O)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2747" />
+<CompoundID name="Name"  value="2,4,6-trinitrotoluene" />
+<StructureFormula name="Structure"  value="(CH3)C6H2(NO2)3" />
+<Family name="Family"  value="39" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="795" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3040000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="573" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="355" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="354" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.936248" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="227.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.154989" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.897249" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.914E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="23070" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10235" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.217E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.64E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.844E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="460700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.12E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.2919E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.6459" />
+  <B value="-0.0046892" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="352.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.99663" />
+  <B value="0.34261" />
+  <C value="803.06" />
+  <D value="0.50647" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="803.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="245.81" />
+  <B value="-20425" />
+  <C value="-32.225" />
+  <D value="0.00001503" />
+  <E value="2" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="828" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.111008E+07" />
+  <B value="-12.33056" />
+  <C value="37.27643" />
+  <D value="-41.67226" />
+  <E value="16.622" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="778.11" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-337310" />
+  <B value="4588.5" />
+  <C value="-14.24" />
+  <D value="0.030526" />
+  <E value="-0.000030713" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="353.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="188750" />
+  <B value="750.94" />
+  <C value="4.5661" />
+  <D value="0.019107" />
+  <E value="-0.00001348" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="625" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="209680" />
+  <B value="-1410.9" />
+  <C value="14.902" />
+  <D value="-0.0017672" />
+  <E value="4.5403E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.37998" />
+  <B value="-379.85" />
+  <C value="-418.42" />
+  <D value="-567110" />
+  <E value="576970" />
+  <Tmin units="K"  value="414" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="92.002" />
+  <B value="-1238.6" />
+  <C value="-16.127" />
+  <D value="0.000013297" />
+  <E value="2" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="625" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1205E-08" />
+  <B value="0.89283" />
+  <C value="134.66" />
+  <D value="-13583" />
+  <Tmin units="K"  value="354" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.10196" />
+  <B value="-488.31" />
+  <C value="0.35873" />
+  <D value="-0.0039133" />
+  <E value="0.0000039064" />
+  <Tmin units="K"  value="357.2" />
+  <Tmax units="K"  value="393.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00015986" />
+  <B value="0.89621" />
+  <C value="647.63" />
+  <D value="36973" />
+  <Tmin units="K"  value="625" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015319" />
+  <B value="-305.07" />
+  <C value="-0.19869" />
+  <D value="-0.0050479" />
+  <E value="5.8446E-07" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="778.11" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="63628" />
+  <B value="610.44" />
+  <C value="-0.32626" />
+  <D value="0.000055813" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-21.91636" />
+  <B value="-10000" />
+  <C value="-66" />
+  <Tmin units="K"  value="274.7056" />
+  <Tmax units="K"  value="444.7056" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.3" />
+  <B value="5815.6" />
+  <C value="-83.892" />
+  <Tmin units="K"  value="478.74" />
+  <Tmax units="K"  value="703.26" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="0.72019" />
+  <B value="-0.015685" />
+  <Tmin units="K"  value="353.15" />
+  <Tmax units="K"  value="625" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.571879" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.601759E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="368.565" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="136.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.070597" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.543387" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.897249" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.154989" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5886" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.08" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.897249" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="23070" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.154989" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="2" />
+  <group id="12"  value="1" />
+  <group id="58"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="2" />
+  <group id="11"  value="1" />
+  <group id="47"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="2" />
+  <group id="11"  value="4" />
+  <group id="34"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="2" />
+  <group id="12"  value="1" />
+  <group id="58"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="2" />
+  <group id="11"  value="1" />
+  <group id="57"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="118-96-7" />
+<Smiles name="SMILES"  value="c1(N(=O)=O)c(C)c(N(=O)=O)cc(N(=O)=O)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1255" />
+<CompoundID name="Name"  value="Oxalic acid" />
+<StructureFormula name="Structure"  value="HOOCCOOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="804" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7020000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.205" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.215" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="569" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="462.65" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="462.65" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2152.34" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.0349" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0614585" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.917597" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.22E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="35980" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.77E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03948" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.12E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.338E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.614E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="343300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.01E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="19.12" />
+  <B value="-0.0026428" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="85.15" />
+  <Tmax units="K"  value="462.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.0501" />
+  <B value="0.215" />
+  <C value="804" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="804" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="216.92" />
+  <B value="-20979" />
+  <C value="-27.004" />
+  <D value="0.0000086326" />
+  <E value="2" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="804" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.2079E+08" />
+  <B value="0.30321" />
+  <C value="0.62049" />
+  <D value="-0.9257" />
+  <E value="0.38682" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="786.03" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-11394" />
+  <B value="847.14" />
+  <C value="-3.3297" />
+  <D value="0.0084208" />
+  <E value="-0.0000077485" />
+  <Tmin units="K"  value="40.35" />
+  <Tmax units="K"  value="323" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="81965" />
+  <B value="-1.9623" />
+  <C value="9.0826" />
+  <D value="0.0038828" />
+  <E value="2.1663E-07" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="603" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="25231" />
+  <B value="-1473.6" />
+  <C value="15.259" />
+  <D value="-0.0058042" />
+  <E value="0.0000026122" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3016E-07" />
+  <B value="0.7814" />
+  <C value="154.56" />
+  <D value="-3949.8" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.088775" />
+  <B value="-213.56" />
+  <C value="0.1118" />
+  <D value="-0.0022725" />
+  <E value="3.5301E-07" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="643.2" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.084868" />
+  <B value="0.23486" />
+  <C value="15441" />
+  <D value="507600" />
+  <Tmin units="K"  value="569" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.011612" />
+  <B value="847.01" />
+  <C value="-7.1508" />
+  <D value="0.0093795" />
+  <E value="-0.0000092018" />
+  <Tmin units="K"  value="462.65" />
+  <Tmax units="K"  value="786.03" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-17972" />
+  <B value="229.76" />
+  <C value="-0.24007" />
+  <D value="0.000093102" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.465" />
+  <B value="5198.7" />
+  <C value="-133.88" />
+  <Tmin units="K"  value="496.79" />
+  <Tmax units="K"  value="718.66" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.209305" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.959373E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="207.4664" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.215" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="60.86" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0276727" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.703223" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.917597" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0614585" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6026" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.448" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.917597" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="35980" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0614585" />
+<UnifacVLE name="UNIFAC" >
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="144-62-7" />
+<Smiles name="SMILES"  value="C(=O)(O)C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1277" />
+<CompoundID name="Name"  value="Acrylic acid" />
+<StructureFormula name="Structure"  value="CH2CHCOOH" />
+<Family name="Family"  value="51" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="654.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5664070" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.210712" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="414.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="286.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="286.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="257.117" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="72.0627" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.068927" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.220736" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.978E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19230" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.87E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04015" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.0E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.371E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.861E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="315000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.117E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.86" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.28022E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.984" />
+  <B value="-4.7488E-17" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.11535" />
+  <B value="0.078693" />
+  <C value="654.15" />
+  <D value="0.16945" />
+  <Tmin units="K"  value="285.15" />
+  <Tmax units="K"  value="597.69" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="55.86645" />
+  <B value="-7062.889" />
+  <C value="-4.564151" />
+  <D value="1.238643E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="276.65" />
+  <Tmax units="K"  value="615" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.9258E+07" />
+  <B value="1.9796" />
+  <C value="2.7587" />
+  <D value="-12.283" />
+  <E value="8.2823" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="615" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4218.5" />
+  <B value="513.93" />
+  <C value="-0.95712" />
+  <D value="0.0023227" />
+  <E value="-0.0000024814" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="286.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="142250" />
+  <B value="1837.1" />
+  <C value="-38.373" />
+  <D value="0.21763" />
+  <E value="-0.00027035" />
+  <Tmin units="K"  value="252.65" />
+  <Tmax units="K"  value="375" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="49916" />
+  <B value="-589.6" />
+  <C value="12.259" />
+  <D value="-0.00013536" />
+  <E value="3.0855E-08" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-113.67" />
+  <B value="5526.6" />
+  <C value="15.75" />
+  <D value="-0.000015983" />
+  <E value="2" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4666E-07" />
+  <B value="0.69704" />
+  <C value="207.66" />
+  <D value="-6104.4" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.40695" />
+  <B value="33.472" />
+  <C value="-0.79449" />
+  <D value="0.00078306" />
+  <E value="-0.0000013868" />
+  <Tmin units="K"  value="184.5" />
+  <Tmax units="K"  value="484.5" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00092475" />
+  <B value="0.70367" />
+  <C value="626.1" />
+  <D value="112700" />
+  <Tmin units="K"  value="414.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00036116" />
+  <B value="2216" />
+  <C value="-21.799" />
+  <D value="0.051947" />
+  <E value="-0.000052793" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="615" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8237.7" />
+  <B value="284.59" />
+  <C value="-0.1807" />
+  <D value="0.00004331" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.386" />
+  <B value="3741" />
+  <C value="-69.977" />
+  <Tmin units="K"  value="393.15" />
+  <Tmax units="K"  value="582.16" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.8047" />
+  <B value="-0.010482" />
+  <Tmin units="K"  value="286.15" />
+  <Tmax units="K"  value="460" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.212878" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.477409E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="215.1844" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="69.16" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0296714" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.058208" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.220736" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.068927" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.6467" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.4" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.538324" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19230" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.068927" />
+<UnifacVLE name="UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="5"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="5"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="5"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="5"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-10-7" />
+<Smiles name="SMILES"  value="C=CC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1278" />
+<CompoundID name="Name"  value="Methacrylic acid" />
+<StructureFormula name="Structure"  value="CH2C(CH3)COOH" />
+<Family name="Family"  value="51" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="643" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4700000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.27" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="433.65" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="288.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="288.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="58.5615" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="86.0892" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0852843" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.331817" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.412E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.5E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05036" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.68E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.88E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="350000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.75969" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.93E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.003" />
+  <B value="-0.0057166" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="115.26" />
+  <Tmax units="K"  value="288.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="2.1083" />
+  <B value="0.37321" />
+  <C value="643" />
+  <D value="0.47743" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="9.843112" />
+  <B value="-6238.161" />
+  <C value="2.965581" />
+  <D value="-0.0000105952" />
+  <E value="2" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="662" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7009500" />
+  <B value="-12.334" />
+  <C value="36.335" />
+  <D value="-42.263" />
+  <E value="18.248" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6059" />
+  <B value="735.3" />
+  <C value="-1.363" />
+  <D value="0.0032903" />
+  <E value="-0.0000034953" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="288.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="130480" />
+  <B value="265.42" />
+  <C value="3.971" />
+  <D value="0.026507" />
+  <E value="-0.000026858" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="48894" />
+  <B value="-560.59" />
+  <C value="12.692" />
+  <D value="-0.00031458" />
+  <E value="1.4407E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.1" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="0.054722" />
+  <B value="968.88" />
+  <C value="-1.7788" />
+  <D value="0.0000031087" />
+  <E value="2" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.4671E-08" />
+  <B value="0.81582" />
+  <C value="92.397" />
+  <D value="383.72" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.067603" />
+  <B value="29.398" />
+  <C value="-1.512" />
+  <D value="0.00016774" />
+  <E value="-0.0000015769" />
+  <Tmin units="K"  value="192.9" />
+  <Tmax units="K"  value="530" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000065218" />
+  <B value="1.0555" />
+  <C value="299.46" />
+  <D value="29315" />
+  <Tmin units="K"  value="434.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0048338" />
+  <B value="515.9" />
+  <C value="-7.199" />
+  <D value="0.011548" />
+  <E value="-0.000015481" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="642.32" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15268" />
+  <B value="462.54" />
+  <C value="-0.34541" />
+  <D value="0.00010342" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.1" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.957" />
+  <B value="2984.3" />
+  <C value="-118.31" />
+  <Tmin units="K"  value="386.53" />
+  <Tmax units="K"  value="572.03" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4335" />
+  <B value="-0.010614" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="434.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.267781" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.553879E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.6541" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="89.68" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="3.6523" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0349816" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.021898" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.331817" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0852843" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3197" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.06" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="-6.7774" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.331817" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0852843" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="8"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="79-41-4" />
+<Smiles name="SMILES"  value="C=C(C)C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1281" />
+<CompoundID name="Name"  value="Benzoic acid" />
+<StructureFormula name="Structure"  value="(C6H5)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="751" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4470000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.344" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="523.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="395.55" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="395.45" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="795.501" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="122.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.112442" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.602794" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.059E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24590" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.34E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.06558" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.41E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.902E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.142E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="369000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.807E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.41302" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0951E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.523" />
+  <B value="-0.0023742" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="395.45" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.7147" />
+  <B value="0.24811" />
+  <C value="751" />
+  <D value="0.28445" />
+  <Tmin units="K"  value="394.65" />
+  <Tmax units="K"  value="751" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="444.4847" />
+  <B value="-30166.81" />
+  <C value="-61.25117" />
+  <D value="0.000029739" />
+  <E value="2" />
+  <Tmin units="K"  value="373.15" />
+  <Tmax units="K"  value="751" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.7437E+07" />
+  <B value="0.13946" />
+  <C value="-2.3071" />
+  <D value="5.0416" />
+  <E value="-2.5138" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="751" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="1801.4" />
+  <B value="920.19" />
+  <C value="-4.2178" />
+  <D value="0.013624" />
+  <E value="-0.000014613" />
+  <Tmin units="K"  value="30" />
+  <Tmax units="K"  value="395.52" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78008" />
+  <B value="1056.8" />
+  <C value="2.5621" />
+  <D value="0.02421" />
+  <E value="-0.000017579" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="450" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="71253" />
+  <B value="-905.31" />
+  <C value="13.682" />
+  <D value="-0.00087786" />
+  <E value="2.5351E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-204.19" />
+  <B value="11713" />
+  <C value="28.642" />
+  <D value="-0.000020228" />
+  <E value="2" />
+  <Tmin units="K"  value="395.52" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.426E-08" />
+  <B value="0.8289" />
+  <C value="91.171" />
+  <D value="5.6616" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.26694" />
+  <B value="24.352" />
+  <C value="-0.89204" />
+  <D value="0.00010336" />
+  <E value="-5.9141E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="596" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000021559" />
+  <B value="1.1593" />
+  <C value="126.16" />
+  <D value="64371" />
+  <Tmin units="K"  value="522.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018071" />
+  <B value="-333.25" />
+  <C value="-0.48157" />
+  <D value="-0.0043141" />
+  <E value="2.3966E-07" />
+  <Tmin units="K"  value="395.45" />
+  <Tmax units="K"  value="751" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-22579" />
+  <B value="512.65" />
+  <C value="-0.28424" />
+  <D value="0.000055985" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.577" />
+  <B value="4593.4" />
+  <C value="-107.46" />
+  <Tmin units="K"  value="451.59" />
+  <Tmax units="K"  value="657.43" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.0682" />
+  <B value="-0.011311" />
+  <Tmin units="K"  value="395.52" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.351828" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.035727E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="314.7165" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.246" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="119.08" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0475472" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.185846" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.602794" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.112442" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.323" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.344" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.602794" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24590" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.112442" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="5" />
+  <group id="10"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="65-85-0" />
+<Smiles name="SMILES"  value="c1ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1282" />
+<CompoundID name="Name"  value="O-toluic acid" />
+<StructureFormula name="Structure"  value="CH3(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="751" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.397" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.245" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="532" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="376.85" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="376.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="237.832" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.126888" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.657237" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.387E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22920" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.67059E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.22796E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.13346E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="406141" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.01774E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.69902E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.4748" />
+  <B value="4.5776E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="386.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.61816" />
+  <B value="0.24687" />
+  <C value="751" />
+  <D value="0.2856" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="133.1988" />
+  <B value="-13740.37" />
+  <C value="-15.5105" />
+  <D value="5.245068E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="370" />
+  <Tmax units="K"  value="751" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="9.9956E+07" />
+  <B value="0.80217" />
+  <C value="-0.93427" />
+  <D value="0.8805" />
+  <E value="-0.3406" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="30.552" />
+  <B value="2311.3" />
+  <C value="-11.456" />
+  <D value="0.025236" />
+  <E value="-0.000020846" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129490" />
+  <B value="18.011" />
+  <C value="10.105" />
+  <D value="0.0057419" />
+  <E value="-0.000003975" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="532.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85949" />
+  <B value="-929.05" />
+  <C value="14.065" />
+  <D value="-0.0013145" />
+  <E value="5.0858E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7015" />
+  <B value="1473.1" />
+  <C value="-0.25079" />
+  <D value="0.0000003109" />
+  <E value="2" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.2379E-07" />
+  <B value="0.7551" />
+  <C value="177.89" />
+  <D value="-5611.1" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13162" />
+  <B value="29.195" />
+  <C value="-1.2663" />
+  <D value="0.000070644" />
+  <E value="-8.4448E-07" />
+  <Tmin units="K"  value="225.3" />
+  <Tmax units="K"  value="595.3" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000027427" />
+  <B value="1.1315" />
+  <C value="204.73" />
+  <D value="55122" />
+  <Tmin units="K"  value="532" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.088963" />
+  <B value="33.057" />
+  <C value="-2.0549" />
+  <D value="-0.00011701" />
+  <E value="-5.6887E-07" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="751" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36255" />
+  <B value="643.38" />
+  <C value="-0.35936" />
+  <D value="0.000063647" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.059" />
+  <B value="4456.2" />
+  <C value="-109.65" />
+  <Tmin units="K"  value="455.62" />
+  <Tmax units="K"  value="674" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.9168" />
+  <B value="-0.0065457" />
+  <Tmin units="K"  value="376.85" />
+  <Tmax units="K"  value="600.8" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.415667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.416104E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="310.1352" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.245" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="139.6" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0563975" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.153456" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.657237" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.126888" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.657237" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22920" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.126888" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="118-90-1" />
+<Smiles name="SMILES"  value="c1(C)ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1283" />
+<CompoundID name="Name"  value="P-toluic acid" />
+<StructureFormula name="Structure"  value="CH3(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="773" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3860000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.397" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.238" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="548.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="452.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="452.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="5208.62" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="136.148" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.129817" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.661017" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.35E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22040" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07673" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.78E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.22796E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.13346E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="406141" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.2737E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.69222E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.1884" />
+  <B value="-1.9667E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.60059" />
+  <B value="0.238" />
+  <C value="773" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="773" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="180.79" />
+  <B value="-16901" />
+  <C value="-22.327" />
+  <D value="0.0000079041" />
+  <E value="2" />
+  <Tmin units="K"  value="450" />
+  <Tmax units="K"  value="773" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.0299E+08" />
+  <B value="0.94653" />
+  <C value="-1.474" />
+  <D value="1.5504" />
+  <E value="-0.62044" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="756.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29.528" />
+  <B value="2233.9" />
+  <C value="-11.072" />
+  <D value="0.024391" />
+  <E value="-0.000020147" />
+  <Tmin units="K"  value="298" />
+  <Tmax units="K"  value="307.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="204240" />
+  <B value="558.58" />
+  <C value="5.081" />
+  <D value="0.015699" />
+  <E value="-0.000010465" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="548.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85949" />
+  <B value="-929.05" />
+  <C value="14.065" />
+  <D value="-0.0013145" />
+  <E value="5.0858E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-16.393" />
+  <B value="2717.5" />
+  <C value="0.51437" />
+  <D value="-3.3608E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.0828E-08" />
+  <B value="0.81038" />
+  <C value="114.97" />
+  <D value="-489.3" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.14095" />
+  <B value="29.118" />
+  <C value="-1.2124" />
+  <D value="0.000049104" />
+  <E value="-7.6374E-07" />
+  <Tmin units="K"  value="231.9" />
+  <Tmax units="K"  value="611.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00002977" />
+  <B value="1.1214" />
+  <C value="206.56" />
+  <D value="62002" />
+  <Tmin units="K"  value="548.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0093429" />
+  <B value="992.57" />
+  <C value="-8.4763" />
+  <D value="0.011892" />
+  <E value="-0.000011231" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="756.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-36255" />
+  <B value="643.38" />
+  <C value="-0.35936" />
+  <D value="0.000063647" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.085" />
+  <B value="4607.3" />
+  <C value="-112.28" />
+  <Tmin units="K"  value="469.61" />
+  <Tmax units="K"  value="688.72" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0746" />
+  <B value="-0.0094981" />
+  <Tmin units="K"  value="452.75" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.415667" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.678613E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="287.5873" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.238" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="139.6" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0546655" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.207575" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.661017" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.129817" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.058" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.912" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.661017" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22040" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.129817" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="12"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="11"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="99-94-5" />
+<Smiles name="SMILES"  value="c1cc(C)ccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1284" />
+<CompoundID name="Name"  value="Salicylic acid" />
+<StructureFormula name="Structure"  value="HO(C6H4)COOH" />
+<Family name="Family"  value="43" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="739" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.364" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.275" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="529" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="431.75" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="431.75" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="2802.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="138.121" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.119591" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.851182" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.251E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="24210" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.84E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0711" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.12E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.948E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.954E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="399800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.959E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.8901E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="10.991" />
+  <B value="-0.0020281" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="78.15" />
+  <Tmax units="K"  value="431.75" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.8432" />
+  <B value="0.27522" />
+  <C value="739" />
+  <D value="0.28574" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="722.53" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="252.5417" />
+  <B value="-21148.9" />
+  <C value="-32.63925" />
+  <D value="0.0000130693" />
+  <E value="2" />
+  <Tmin units="K"  value="429.95" />
+  <Tmax units="K"  value="739" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.3325E+08" />
+  <B value="-0.11849" />
+  <C value="3.6062" />
+  <D value="-5.1635" />
+  <E value="2.13" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="722.83" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="47862" />
+  <B value="1.3021" />
+  <C value="2.8451" />
+  <D value="-0.0074793" />
+  <E value="0.0000077542" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="129500" />
+  <B value="160.82" />
+  <C value="8.5105" />
+  <D value="0.0092921" />
+  <E value="-0.0000057493" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="551.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83388" />
+  <B value="-879.57" />
+  <C value="13.917" />
+  <D value="-0.0013499" />
+  <E value="0.0000005122" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-50.743" />
+  <B value="5203.6" />
+  <C value="5.2837" />
+  <D value="2.047E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="591.2" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.0029E-07" />
+  <B value="0.78423" />
+  <C value="131.87" />
+  <D value="-154.53" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0043799" />
+  <B value="-391.31" />
+  <C value="0.63544" />
+  <D value="-0.0048323" />
+  <E value="0.0000010995" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="529" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028337" />
+  <B value="1.1043" />
+  <C value="106.43" />
+  <D value="67783" />
+  <Tmin units="K"  value="529" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.025399" />
+  <B value="35.561" />
+  <C value="-2.635" />
+  <D value="0.00026914" />
+  <E value="-0.0000023783" />
+  <Tmin units="K"  value="431.75" />
+  <Tmax units="K"  value="722.83" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33229" />
+  <B value="646.66" />
+  <C value="-0.44103" />
+  <D value="0.00010904" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.591" />
+  <B value="4389.8" />
+  <C value="-131.93" />
+  <Tmin units="K"  value="445.35" />
+  <Tmax units="K"  value="662.19" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.3875" />
+  <B value="-0.010056" />
+  <Tmin units="K"  value="426.15" />
+  <Tmax units="K"  value="591.2" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.38316" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.272098E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="462.5464" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.275" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="125.19" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0500667" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.298112" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.851182" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.119591" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.6869" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.624" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.851182" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="24210" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.119591" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="18"  value="1" />
+  <group id="43"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="18"  value="1" />
+  <group id="23"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="16"  value="1" />
+  <group id="24"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="1" />
+  <group id="18"  value="1" />
+  <group id="43"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="1" />
+  <group id="17"  value="1" />
+  <group id="42"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="69-72-7" />
+<Smiles name="SMILES"  value="c1(O)ccccc1(C(=O)O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1285" />
+<CompoundID name="Name"  value="Adipic acid" />
+<StructureFormula name="Structure"  value="HOOC(CH2)4COOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="809" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3530000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.21" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="611" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="426.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="425.5" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="78.0827" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="146.141" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.133942" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.05065" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.976E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25370" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.07996" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.15E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-8.65E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.82E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="482000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.67E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.58E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.2095" />
+  <B value="0.000041964" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="285.65" />
+  <Tmax units="K"  value="425.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.64797" />
+  <B value="0.25918" />
+  <C value="809" />
+  <D value="0.28198" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="255.2237" />
+  <B value="-23233.92" />
+  <C value="-32.83085" />
+  <D value="0.000013435" />
+  <E value="2" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.949255E+08" />
+  <B value="0.823008" />
+  <C value="2.518159" />
+  <D value="-5.646327" />
+  <E value="2.784565" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="40.553" />
+  <B value="3069.4" />
+  <C value="-15.206" />
+  <D value="0.033481" />
+  <E value="-0.000027642" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="235940" />
+  <B value="-32.997" />
+  <C value="10.809" />
+  <D value="0.0032672" />
+  <E value="-0.0000019456" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="611" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="85474" />
+  <B value="-423.41" />
+  <C value="12.745" />
+  <D value="0.00026178" />
+  <E value="-1.1462E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4738" />
+  <B value="3093.2" />
+  <C value="-0.68319" />
+  <D value="4.5668E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="466.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.6397E-08" />
+  <B value="0.79699" />
+  <C value="129.04" />
+  <D value="-83.45" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.15138" />
+  <B value="31.723" />
+  <C value="-1.1417" />
+  <D value="0.000072402" />
+  <E value="-7.2467E-07" />
+  <Tmin units="K"  value="242.7" />
+  <Tmax units="K"  value="642.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00019846" />
+  <B value="0.87712" />
+  <C value="520.45" />
+  <D value="62013" />
+  <Tmin units="K"  value="611" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018266" />
+  <B value="123.31" />
+  <C value="-3.4148" />
+  <D value="0.00050163" />
+  <E value="-0.0000017596" />
+  <Tmin units="K"  value="425.5" />
+  <Tmax units="K"  value="809" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="18304" />
+  <B value="636.31" />
+  <C value="-0.40132" />
+  <D value="0.0000928" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.687" />
+  <B value="5175.2" />
+  <C value="-145.76" />
+  <Tmin units="K"  value="486.05" />
+  <Tmax units="K"  value="708.08" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="1.714" />
+  <B value="-0.016424" />
+  <Tmin units="K"  value="433.15" />
+  <Tmax units="K"  value="466.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.434587" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.945443E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="191.8011" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.21" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="142.94" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0512838" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.204857" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.05065" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.133942" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.3002" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.608" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.05065" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25370" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.133942" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="124-04-9" />
+<Smiles name="SMILES"  value="OC(=O)CCCCC(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1287" />
+<CompoundID name="Name"  value="Phthalic acid" />
+<StructureFormula name="Structure"  value="COOH(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="943.0648" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4492234" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4235" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242627" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="651.424" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="483.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115821" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.16031" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.162787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29038.44" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.67E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0828" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.072E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.63E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.42E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="442000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0915E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.5506" />
+  <B value="0.0031229" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.59385" />
+  <B value="0.252" />
+  <C value="800" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="214.6186" />
+  <B value="-21678.73" />
+  <C value="-26.54136" />
+  <D value="7.94063E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.16446E+08" />
+  <B value="0.325842" />
+  <C value="-0.000233021" />
+  <D value="0.00216992" />
+  <E value="0.484323" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="22693" />
+  <B value="550.36" />
+  <C value="-0.074278" />
+  <D value="0.00058694" />
+  <E value="-9.7751E-07" />
+  <Tmin units="K"  value="90" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="126080" />
+  <B value="73.955" />
+  <C value="9.4222" />
+  <D value="0.0070682" />
+  <E value="-0.0000039598" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="600" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78972" />
+  <B value="-814.12" />
+  <C value="13.621" />
+  <D value="-0.00057909" />
+  <E value="1.2469E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-20.315" />
+  <B value="4089.4" />
+  <C value="0.87699" />
+  <D value="-5.3713E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="598" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.1978E-08" />
+  <B value="0.86126" />
+  <C value="68.544" />
+  <D value="-136.86" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.13007" />
+  <B value="40.261" />
+  <C value="-1.3314" />
+  <D value="0.00027982" />
+  <E value="-9.4309E-07" />
+  <Tmin units="K"  value="240" />
+  <Tmax units="K"  value="640" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00011576" />
+  <B value="0.91053" />
+  <C value="351.24" />
+  <D value="130660" />
+  <Tmin units="K"  value="598" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035541" />
+  <B value="-4.5485" />
+  <C value="-2.2151" />
+  <D value="-0.00053178" />
+  <E value="-1.9436E-07" />
+  <Tmin units="K"  value="464.15" />
+  <Tmax units="K"  value="800" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-52622.52" />
+  <B value="719.7759" />
+  <C value="-0.465185" />
+  <D value="0.000108418" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.903144" />
+  <B value="-3000" />
+  <C value="-18" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0493" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.451" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.288" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="88-99-3" />
+<Smiles name="SMILES"  value="c1(C(=O)O)c(C(=O)O)cccc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1286" />
+<CompoundID name="Name"  value="Maleic acid" />
+<StructureFormula name="Structure"  value="HOOCCHCHCOOH" />
+<Family name="Family"  value="52" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="773" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4990000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.297" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.231" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="411" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="403.45" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="403.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="98.6734" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="116.072" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.090835" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.997587" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.221E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="30550" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.06E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05642" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.28E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.794E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.96E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="416000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.47E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.2684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="13.698" />
+  <B value="-1.103E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="302.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.77641" />
+  <B value="0.231" />
+  <C value="773" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="187.4602" />
+  <B value="-19104.39" />
+  <C value="-22.78106" />
+  <D value="6.967225E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.16446E+08" />
+  <B value="0.325842" />
+  <C value="-0.000233021" />
+  <D value="0.00216992" />
+  <E value="0.484323" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="773" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="21794" />
+  <B value="494.53" />
+  <C value="-0.98012" />
+  <D value="0.002955" />
+  <E value="-0.00000306" />
+  <Tmin units="K"  value="60" />
+  <Tmax units="K"  value="350" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="148240" />
+  <B value="706.52" />
+  <C value="4.046" />
+  <D value="0.018422" />
+  <E value="-0.000011933" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="579.75" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="60872" />
+  <B value="-493.34" />
+  <C value="12.58" />
+  <D value="-0.00028606" />
+  <E value="0.0000001493" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-11.993" />
+  <B value="2508.3" />
+  <C value="0.079857" />
+  <D value="-1.8766E-08" />
+  <E value="2" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="565" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.0189E-08" />
+  <B value="0.80995" />
+  <C value="111.91" />
+  <D value="-70.22" />
+  <Tmin units="K"  value="403" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.061944" />
+  <B value="-160.86" />
+  <C value="-0.25643" />
+  <D value="-0.0021458" />
+  <E value="2.3954E-07" />
+  <Tmin units="K"  value="403.8" />
+  <Tmax units="K"  value="612" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0000021963" />
+  <B value="1.4191" />
+  <C value="-285.03" />
+  <D value="84199" />
+  <Tmin units="K"  value="469" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010076" />
+  <B value="568.91" />
+  <C value="-6.0243" />
+  <D value="0.0070715" />
+  <E value="-0.0000080291" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="773" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="13513" />
+  <B value="415.8" />
+  <C value="-0.29766" />
+  <D value="0.000084426" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.374" />
+  <B value="5133" />
+  <C value="-132.2" />
+  <Tmin units="K"  value="477.36" />
+  <Tmax units="K"  value="695.27" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.0564" />
+  <B value="-0.010763" />
+  <Tmin units="K"  value="403.45" />
+  <Tmax units="K"  value="565" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.300877" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.224859E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="258.283" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.231" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="97.28" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0397792" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.407506" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.997587" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.090835" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.7193" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.315" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.997587" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="30550" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.090835" />
+<UnifacVLE name="UNIFAC" >
+  <group id="43"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="23"  value="2" />
+  <group id="6"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="6"  value="1" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="43"  value="2" />
+  <group id="6"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="42"  value="2" />
+  <group id="6"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-16-7" />
+<Smiles name="SMILES"  value="C(=O)(O)/C=C\C(=O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1289" />
+<CompoundID name="Name"  value="Terephthalic acid" />
+<StructureFormula name="Structure"  value="1,4-COOH(C6H4)COOH" />
+<Family name="Family"  value="53" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="943.0648" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4492234" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4235" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.242627" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="665.55" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="573.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.131" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115821" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.16031" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.162787E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29038.44" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0828" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.062E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.179E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-5.99E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="448000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.0576E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="9.0891" />
+  <B value="-4.8319E-09" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.42685" />
+  <B value="0.181" />
+  <C value="1113" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1113" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="215.8574" />
+  <B value="-29586.64" />
+  <C value="-25.50026" />
+  <D value="3.863371E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1113" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.9802E+07" />
+  <B value="0.189" />
+  <C value="-0.50305" />
+  <D value="-1.1074" />
+  <E value="4.311" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-6542500" />
+  <B value="74970" />
+  <C value="-317.47" />
+  <D value="0.6016" />
+  <E value="-0.0004268" />
+  <Tmin units="K"  value="318" />
+  <Tmax units="K"  value="398" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83070" />
+  <B value="-852.74" />
+  <C value="13.689" />
+  <D value="-0.000643" />
+  <E value="1.4167E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.4248E-08" />
+  <B value="0.96894" />
+  <C value="40.456" />
+  <D value="-14256" />
+  <Tmin units="K"  value="700.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016184" />
+  <B value="0.88608" />
+  <C value="624.29" />
+  <D value="90960" />
+  <Tmin units="K"  value="832" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-47902" />
+  <B value="696.58" />
+  <C value="-0.43325" />
+  <D value="0.000095385" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.733" />
+  <B value="9708.2" />
+  <C value="-96.745" />
+  <Tmin units="K"  value="844.65" />
+  <Tmax units="K"  value="1113" />
+  </AntoineVaporPressure>
+<RacketParameter name="Rackett parameter"  units="_"  value="0.242627" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="147.2" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.049" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.51" />
+<Charge name="Charge"  units="_"  value="0" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.456" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.288" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="23"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="24"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="43"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="42"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-21-0" />
+<Smiles name="SMILES"  value="c1(C(=O)O)ccc(C(=O)O)cc1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1291" />
+<CompoundID name="Name"  value="Acetic anhydride" />
+<StructureFormula name="Structure"  value="CH3COOOCCH3" />
+<Family name="Family"  value="54" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="569.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4280000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.29" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.23" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="413.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="200.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="200.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.0219995" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.089" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0949602" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.809524" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.579E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="22010" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0544" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.06E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.735E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.767E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="389900" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.05E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.65" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.675E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.778" />
+  <B value="-0.0082423" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="80.06" />
+  <Tmax units="K"  value="200.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.3543" />
+  <B value="0.3062" />
+  <C value="584.65" />
+  <D value="0.43334" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="584.64" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="94.79499" />
+  <B value="-8627.117" />
+  <C value="-10.49847" />
+  <D value="0.0000051448" />
+  <E value="2" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="606" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.787557E+07" />
+  <B value="-0.639261" />
+  <C value="1.651354" />
+  <D value="-0.778133" />
+  <E value="-0.0411955" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="563.28" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-76055" />
+  <B value="674.26" />
+  <C value="4.7415" />
+  <D value="0.026829" />
+  <E value="-0.000028167" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="63862" />
+  <B value="-716.36" />
+  <C value="13.016" />
+  <D value="-0.00041944" />
+  <E value="1.1702E-07" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.21833" />
+  <B value="-249.69" />
+  <C value="-53.999" />
+  <D value="-19108" />
+  <E value="27047" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="2000" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-13.196" />
+  <B value="1321.3" />
+  <C value="0.29135" />
+  <D value="3.1938E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3132E-07" />
+  <B value="0.7781" />
+  <C value="96.036" />
+  <D value="3593.8" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0017236" />
+  <B value="-11.978" />
+  <C value="-1.3413" />
+  <D value="-0.0012823" />
+  <E value="-6.1388E-07" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0003967" />
+  <B value="0.81349" />
+  <C value="426.6" />
+  <D value="140300" />
+  <Tmin units="K"  value="412.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0012765" />
+  <B value="252.13" />
+  <C value="-6.1499" />
+  <D value="0.014601" />
+  <E value="-0.000027747" />
+  <Tmin units="K"  value="200.15" />
+  <Tmax units="K"  value="563.28" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-5437.1" />
+  <B value="428.12" />
+  <C value="-0.25005" />
+  <D value="0.000054067" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.597" />
+  <B value="3463.7" />
+  <C value="-68.344" />
+  <Tmin units="K"  value="342.2" />
+  <Tmax units="K"  value="510" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.3258" />
+  <B value="-0.012352" />
+  <Tmin units="K"  value="210" />
+  <Tmax units="K"  value="412.7" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.289796" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.205059E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="187.2234" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.23" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0382651" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.08656" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.453" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0949602" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.586025" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.224" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.453" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="22010" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0949602" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="18"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="108-24-7" />
+<Smiles name="SMILES"  value="CC(=O)OC(=O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1298" />
+<CompoundID name="Name"  value="Maleic anhydride" />
+<StructureFormula name="Structure"  value="-CHCOOCOCH-" />
+<Family name="Family"  value="54" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="721" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="7280000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.219" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.266" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="473.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="325.927" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="325.72" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="289.837" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="98.0569" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0741215" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.54629" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.312E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="25870" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.31E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04404" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.96E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.167E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.55E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="317000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.15E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.06669" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.38E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.277" />
+  <B value="-6.3556E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.1934" />
+  <B value="0.26153" />
+  <C value="721" />
+  <D value="0.35499" />
+  <Tmin units="K"  value="325.65" />
+  <Tmax units="K"  value="721" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="181.7423" />
+  <B value="-13070.32" />
+  <C value="-23.83155" />
+  <D value="0.0000182982" />
+  <E value="2" />
+  <Tmin units="K"  value="323.15" />
+  <Tmax units="K"  value="721" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.7421E+07" />
+  <B value="0.064434" />
+  <C value="0.35394" />
+  <D value="-0.39596" />
+  <E value="0.19018" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="721" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29806" />
+  <B value="250.42" />
+  <C value="0.11616" />
+  <D value="-0.000014644" />
+  <E value="6.1402E-07" />
+  <Tmin units="K"  value="88.51" />
+  <Tmax units="K"  value="320.3" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="7374.3" />
+  <B value="412.68" />
+  <C value="8.4647" />
+  <D value="0.0086559" />
+  <E value="-0.0000060424" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="540.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-39596" />
+  <B value="-169.57" />
+  <C value="12.496" />
+  <D value="6.0181E-08" />
+  <E value="4.1214E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.1425" />
+  <B value="-178.8" />
+  <C value="-68.898" />
+  <D value="-34417" />
+  <E value="12399" />
+  <Tmin units="K"  value="360.5" />
+  <Tmax units="K"  value="1980.5" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="93.459" />
+  <B value="-2744.1" />
+  <C value="-16.078" />
+  <D value="0.000015825" />
+  <E value="2" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.5282E-08" />
+  <B value="0.87275" />
+  <C value="168.46" />
+  <D value="-10784" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0050361" />
+  <B value="-137.05" />
+  <C value="-0.46443" />
+  <D value="-0.0029116" />
+  <E value="3.9472E-07" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00030053" />
+  <B value="0.85542" />
+  <C value="634.55" />
+  <D value="21624" />
+  <Tmin units="K"  value="473.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.010279" />
+  <B value="305" />
+  <C value="-4.7222" />
+  <D value="0.0047657" />
+  <E value="-0.0000071881" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="721" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-7976.2" />
+  <B value="560.7" />
+  <C value="-0.59917" />
+  <D value="0.00024312" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.1" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.509298" />
+  <B value="-10000" />
+  <C value="-153" />
+  <Tmin units="K"  value="314.15" />
+  <Tmax units="K"  value="484.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="25.037" />
+  <B value="7200.5" />
+  <C value="56.284" />
+  <Tmin units="K"  value="434" />
+  <Tmax units="K"  value="637.78" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.9417" />
+  <B value="-0.010534" />
+  <Tmin units="K"  value="325.72" />
+  <Tmax units="K"  value="475.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.233687" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.510636E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="400.3339" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.266" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337942" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.32293" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54629" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0741215" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.903098" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.384" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.54629" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="25870" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0741215" />
+<Asog name="ASOG" >
+  <group id="6"  value="1" />
+  <group id="18"  value="2" />
+  <group id="19"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="108-31-6" />
+<Smiles name="SMILES"  value="O1C(=O)C=CC1(=O)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1100" />
+<CompoundID name="Name"  value="Ketene" />
+<StructureFormula name="Structure"  value="CH2CO" />
+<Family name="Family"  value="26" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="370" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5810000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.144" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.272" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="217.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="122.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="122" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="7.19493" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="42.0367" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.06374" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.125656" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="1.605E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="13820" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="4.74E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.02571" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.02733E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.11E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.02914E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="241800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-9.67759E+08" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="28.127" />
+  <B value="-0.025457" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="48.8" />
+  <Tmax units="K"  value="122" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.8886" />
+  <B value="0.272" />
+  <C value="370" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="370" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="58.628" />
+  <B value="-3467" />
+  <C value="-5.9337" />
+  <D value="0.000010248" />
+  <E value="2" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="370" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6158E+07" />
+  <B value="4.5264" />
+  <C value="-12.408" />
+  <D value="14.257" />
+  <E value="-5.881" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="356.95" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="41971" />
+  <B value="267.01" />
+  <C value="4.7755" />
+  <D value="0.029953" />
+  <E value="-0.000037749" />
+  <Tmin units="K"  value="162.53" />
+  <Tmax units="K"  value="277.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="33110" />
+  <B value="-414.32" />
+  <C value="10.968" />
+  <D value="0.00041237" />
+  <E value="-1.3222E-07" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.084441" />
+  <B value="-73.911" />
+  <C value="-3.4543" />
+  <D value="-184.05" />
+  <E value="165.87" />
+  <Tmin units="K"  value="185" />
+  <Tmax units="K"  value="1845" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-18.659" />
+  <B value="731.69" />
+  <C value="1.5497" />
+  <D value="-0.000011288" />
+  <E value="2" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="0.000001285" />
+  <B value="0.50552" />
+  <C value="367.45" />
+  <D value="-2188.3" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.007072" />
+  <B value="-11.763" />
+  <C value="-0.74777" />
+  <D value="-0.0024777" />
+  <E value="-0.0000018714" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.000028519" />
+  <B value="1.1477" />
+  <C value="-97.436" />
+  <D value="37387" />
+  <Tmin units="K"  value="223.34" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0092911" />
+  <B value="36.086" />
+  <C value="-3.4694" />
+  <D value="0.0016382" />
+  <E value="-0.000014409" />
+  <Tmin units="K"  value="122" />
+  <Tmax units="K"  value="356.95" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="21695" />
+  <B value="109.1" />
+  <C value="-0.059305" />
+  <D value="0.000012442" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.165" />
+  <B value="1969.1" />
+  <C value="-19.227" />
+  <Tmin units="K"  value="223" />
+  <Tmax units="K"  value="330.84" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.0718" />
+  <B value="-0.020835" />
+  <Tmin units="K"  value="120" />
+  <Tmax units="K"  value="223.33" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.136385" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.665338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="222.6194" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.272" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0190563" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.678908" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.125656" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.06374" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="1.694792" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.610932" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.125656" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="13820" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.06374" />
+<CAS name="CAS number"  value="463-51-4" />
+<Smiles name="SMILES"  value="C=C=O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1351" />
+<CompoundID name="Name"  value="Methyl methacrylate" />
+<StructureFormula name="Structure"  value="CH2C(CH3)COOCH3" />
+<Family name="Family"  value="59" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="563.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3670000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.324" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.253" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="374.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="225.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="225.6" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="19.0855" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="100.116" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.106736" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.280233" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.62E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.57E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05949" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="8.91E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.6E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.54E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="401000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44348E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.27622" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.54E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="12.912" />
+  <B value="-0.0063843" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.98" />
+  <Tmax units="K"  value="224.95" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.91648" />
+  <B value="0.27205" />
+  <C value="563.15" />
+  <D value="0.3201" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="129.5007" />
+  <B value="-8907.818" />
+  <C value="-16.17497" />
+  <D value="0.000012098" />
+  <E value="2" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="566" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.397285E+07" />
+  <B value="-0.0862845" />
+  <C value="1.857786" />
+  <D value="-2.127696" />
+  <E value="0.775243" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22371" />
+  <B value="1615.2" />
+  <C value="-7.3896" />
+  <D value="0.0056281" />
+  <E value="0.000054354" />
+  <Tmin units="K"  value="20" />
+  <Tmax units="K"  value="210" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="45251" />
+  <B value="733.56" />
+  <C value="4.0201" />
+  <D value="0.024183" />
+  <E value="-0.000020347" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="373.45" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="40862.92" />
+  <B value="-408.0793" />
+  <C value="12.53452" />
+  <D value="0.000265188" />
+  <E value="-1.105927E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.20274" />
+  <B value="-240.84" />
+  <C value="-40.536" />
+  <D value="6484.6" />
+  <E value="-27053" />
+  <Tmin units="K"  value="282" />
+  <Tmax units="K"  value="1800" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.2342" />
+  <B value="780.75" />
+  <C value="-0.30393" />
+  <D value="-0.0000019127" />
+  <E value="2" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.0508E-07" />
+  <B value="0.64362" />
+  <C value="435.99" />
+  <D value="-25064" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.093744" />
+  <B value="-51.297" />
+  <C value="-0.18289" />
+  <D value="-0.0078351" />
+  <E value="-0.0000030405" />
+  <Tmin units="K"  value="290.15" />
+  <Tmax units="K"  value="363.45" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0023506" />
+  <B value="0.61168" />
+  <C value="848.43" />
+  <D value="252520" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.035425" />
+  <B value="-58.877" />
+  <C value="-1.5763" />
+  <D value="-0.0037063" />
+  <E value="0.0000012939" />
+  <Tmin units="K"  value="224.95" />
+  <Tmax units="K"  value="548.05" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-10357" />
+  <B value="514.6" />
+  <C value="-0.32166" />
+  <D value="0.000073928" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.565" />
+  <B value="2703.4" />
+  <C value="-74.211" />
+  <Tmin units="K"  value="340" />
+  <Tmax units="K"  value="494.2" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.6879" />
+  <B value="-0.0094364" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="400" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.31782" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.668304E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="261.0785" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.253" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="110.2" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0432757" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.94966" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.280233" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.106736" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.9215" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.564" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.280233" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="18530" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.106736" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="8"  value="1" />
+  <group id="25"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="22"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="7"  value="1" />
+  <group id="21"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="80-62-6" />
+<Smiles name="SMILES"  value="C=C(C)C(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1381" />
+<CompoundID name="Name"  value="Dimethyl terephthalate" />
+<StructureFormula name="Structure"  value="C6H4(COOCH3)2" />
+<Family name="Family"  value="60" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="772" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2780000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.529" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.229" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="555.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="413.8" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="413.8" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1257.73" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="194.184" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.180564" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.637086" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="5.394E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="7.3E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.10106" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.324E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.37E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.74E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="550000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="3.09E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.43085" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.4115E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="7.4567" />
+  <B value="-1.8182E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.50864" />
+  <B value="0.26895" />
+  <C value="772" />
+  <D value="0.26133" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="87.35202" />
+  <B value="-11061.82" />
+  <C value="-8.88269" />
+  <D value="1.566691E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="772" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.927268E+07" />
+  <B value="-0.826644" />
+  <C value="0.840569" />
+  <D value="0.547723" />
+  <E value="-0.373819" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-784670" />
+  <B value="8890.9" />
+  <C value="-28.57" />
+  <D value="0.040933" />
+  <E value="-0.000019452" />
+  <Tmin units="K"  value="317.35" />
+  <Tmax units="K"  value="403.68" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="306140" />
+  <B value="1151.8" />
+  <C value="1.8179" />
+  <D value="0.019226" />
+  <E value="-0.0000087371" />
+  <Tmin units="K"  value="423.15" />
+  <Tmax units="K"  value="466.35" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="95546" />
+  <B value="-944.26" />
+  <C value="15.059" />
+  <D value="-0.0027373" />
+  <E value="0.0000012901" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.40094" />
+  <B value="-498.08" />
+  <C value="-263.19" />
+  <D value="-218660" />
+  <E value="171700" />
+  <Tmin units="K"  value="386" />
+  <Tmax units="K"  value="1774" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-9.6027" />
+  <B value="1845.8" />
+  <C value="-0.28991" />
+  <D value="2.7867E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.5497E-10" />
+  <B value="1.62" />
+  <C value="-527.6" />
+  <D value="101960" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="1550" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.015206" />
+  <B value="-275.63" />
+  <C value="0.058569" />
+  <D value="-0.0035078" />
+  <E value="7.3745E-07" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-21938" />
+  <B value="0.32202" />
+  <C value="-4.3275E+09" />
+  <D value="-1.5265E+11" />
+  <Tmin units="K"  value="561.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.058913" />
+  <B value="-26.714" />
+  <C value="-1.9282" />
+  <D value="-0.0011887" />
+  <E value="8.1672E-08" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="753.15" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-135990" />
+  <B value="1367.3" />
+  <C value="-1.3275" />
+  <D value="0.00050832" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.619" />
+  <B value="6772" />
+  <C value="-1.4218" />
+  <Tmin units="K"  value="470.36" />
+  <Tmax units="K"  value="677.74" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-3.4624" />
+  <B value="-0.008305" />
+  <Tmin units="K"  value="413.8" />
+  <Tmax units="K"  value="561.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.563654" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.849681E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.999" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.229" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="169.94" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0718832" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.174947" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.637086" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.180564" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6618" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.296" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.637086" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17710" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.180564" />
+<UnifacVLE name="UNIFAC" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="25"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="10"  value="4" />
+  <group id="11"  value="2" />
+  <group id="22"  value="2" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="9"  value="4" />
+  <group id="10"  value="2" />
+  <group id="21"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="120-61-6" />
+<Smiles name="SMILES"  value="c1c(C(=O)OC)ccc(C(=O)OC)c1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1442" />
+<CompoundID name="Name"  value="1,2-propylene oxide" />
+<StructureFormula name="Structure"  value="CH3-CHCH2O-" />
+<Family name="Family"  value="63" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="482.25" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4920000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.186" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.228" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="307.05" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="161.22" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="161.22" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.965624" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="58.0791" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0705481" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.268304" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.66E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19050" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="6.7E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0344" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.64E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.372E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.58E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="286700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="6531000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.95094" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.79E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="21.358" />
+  <B value="-0.014706" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="64.49" />
+  <Tmax units="K"  value="161.22" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5769" />
+  <B value="0.28598" />
+  <C value="482.25" />
+  <D value="0.29139" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="83.693" />
+  <B value="-5715.8" />
+  <C value="-9.522" />
+  <D value="0.00001033" />
+  <E value="2" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.241305E+07" />
+  <B value="1.339985" />
+  <C value="-1.496096" />
+  <D value="0.72766" />
+  <E value="-0.151947" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-22780" />
+  <B value="1901.9" />
+  <C value="-20.601" />
+  <D value="0.11819" />
+  <E value="-0.00025907" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="161.25" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="78704" />
+  <B value="274.26" />
+  <C value="7.2963" />
+  <D value="0.0088641" />
+  <E value="-0.0000023407" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="433.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="42195" />
+  <B value="-578.73" />
+  <C value="12.252" />
+  <D value="0.00010777" />
+  <E value="-4.7082E-08" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.068785" />
+  <B value="-9.8409" />
+  <C value="-37.616" />
+  <D value="14983" />
+  <E value="-36794" />
+  <Tmin units="K"  value="241.12" />
+  <Tmax units="K"  value="1543.13" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="20.905" />
+  <B value="283.5" />
+  <C value="-5.5156" />
+  <D value="0.000016261" />
+  <E value="2" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.1059E-07" />
+  <B value="0.81831" />
+  <C value="109.91" />
+  <D value="-5863.4" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.10066" />
+  <B value="294.75" />
+  <C value="-5.9561" />
+  <D value="0.019433" />
+  <E value="-0.000039547" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="385.8" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00022671" />
+  <B value="0.95467" />
+  <C value="579.31" />
+  <D value="32798" />
+  <Tmin units="K"  value="307.05" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.015763" />
+  <B value="49.046" />
+  <C value="-3.1007" />
+  <D value="0.001104" />
+  <E value="-0.0000073634" />
+  <Tmin units="K"  value="161.22" />
+  <Tmax units="K"  value="482.25" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8474.7" />
+  <B value="248.13" />
+  <C value="-0.09863" />
+  <D value="0.0000096523" />
+  <Tmin units="K"  value="150" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.382" />
+  <B value="2709.9" />
+  <C value="-32.425" />
+  <Tmin units="K"  value="290.2" />
+  <Tmax units="K"  value="433.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.8854" />
+  <B value="-0.017723" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="313.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.182307" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.279053E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="153.7272" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.228" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="67.67" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-1.02" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0273464" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.836764" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.268304" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0705481" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.2663" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="1.856" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.24763" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.268304" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19050" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0705481" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="28"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="26"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="25"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="75-56-9" />
+<Smiles name="SMILES"  value="CC1OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1472" />
+<CompoundID name="Name"  value="Cumene hydroperoxide" />
+<StructureFormula name="Structure"  value="(C6H5)C(CH3)2OOH" />
+<Family name="Family"  value="64" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="605" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3340000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.463" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.278" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="442.7" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="264.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="264.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00236574" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="152.19" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.145892" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.995" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.532E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21500" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.95412E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08825" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.162E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.84E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.6E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="455000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.8444E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="8.9801" />
+  <B value="-0.0037758" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="105.7" />
+  <Tmax units="K"  value="264.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.6643" />
+  <B value="0.27801" />
+  <C value="605" />
+  <D value="0.28637" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="605" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="156.523" />
+  <B value="-16668.56" />
+  <C value="-17.98221" />
+  <D value="0.0000113017" />
+  <E value="2" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="494.28" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.2836E+07" />
+  <B value="0.18056" />
+  <C value="-0.22381" />
+  <D value="-0.21673" />
+  <E value="0.35898" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="307.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7404" />
+  <B value="942.63" />
+  <C value="-1.8511" />
+  <D value="0.0047682" />
+  <E value="-0.0000054326" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="264.26" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="83403" />
+  <B value="-35.074" />
+  <C value="9.3262" />
+  <D value="0.010979" />
+  <E value="-0.00001071" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="70090" />
+  <B value="-408.89" />
+  <C value="12.927" />
+  <D value="0.00036839" />
+  <E value="-1.5886E-07" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.9678E-07" />
+  <B value="0.71936" />
+  <C value="203.36" />
+  <D value="-7639" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.022189" />
+  <B value="-77.144" />
+  <C value="-1.2225" />
+  <D value="-0.0023354" />
+  <E value="4.0588E-08" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018194" />
+  <B value="0.94296" />
+  <C value="592.69" />
+  <D value="22533" />
+  <Tmin units="K"  value="442.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.045171" />
+  <B value="4.6642" />
+  <C value="-2.3249" />
+  <D value="-0.0010841" />
+  <E value="-3.4989E-07" />
+  <Tmin units="K"  value="264.26" />
+  <Tmax units="K"  value="442.7" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-20463" />
+  <B value="844.33" />
+  <C value="-0.56023" />
+  <D value="0.00014275" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="33.2" />
+  <B value="8625.8" />
+  <C value="-44.733" />
+  <Tmin units="K"  value="367.57" />
+  <Tmax units="K"  value="494.28" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.484118" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.707874E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="393.7584" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.278" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0577525" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.053372" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.995" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.145892" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.817402" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.648" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.995" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21500" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.145892" />
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="15"  value="1" />
+  <group id="18"  value="1" />
+  </Asog>
+<CAS name="CAS number"  value="80-15-9" />
+<Smiles name="SMILES"  value="c1ccccc1(C(C)(C)OO)" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1773" />
+<CompoundID name="Name"  value="Propionitrile" />
+<StructureFormula name="Structure"  value="CH3CH2CN" />
+<Family name="Family"  value="38" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="564.4" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4180000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.229" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.204" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="370.5" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="180.26" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="180.26" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.169356" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="55.0785" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0708565" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.324267" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.652E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="21760" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.34E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0386" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.66E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="5.15E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.74949E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="286600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5029170" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.2586" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.8007E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="20.345" />
+  <B value="-0.012638" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="72.1" />
+  <Tmax units="K"  value="180.26" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.90359" />
+  <B value="0.2211" />
+  <C value="564.4" />
+  <D value="0.26246" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="81.601" />
+  <B value="-6646.8" />
+  <C value="-8.9882" />
+  <D value="0.0000074443" />
+  <E value="2" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.633259E+07" />
+  <B value="-2.107222" />
+  <C value="8.013128" />
+  <D value="-9.747514" />
+  <E value="4.114254" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-14960" />
+  <B value="1312.1" />
+  <C value="-7.69" />
+  <D value="0.017079" />
+  <E value="0.000015678" />
+  <Tmin units="K"  value="15" />
+  <Tmax units="K"  value="170" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="105770" />
+  <B value="154.89" />
+  <C value="4.5843" />
+  <D value="0.018329" />
+  <E value="-0.000011984" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="47947" />
+  <B value="-544.83" />
+  <C value="11.91" />
+  <D value="0.00026005" />
+  <E value="-9.1233E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.088354" />
+  <B value="-183.35" />
+  <C value="-90.512" />
+  <D value="-32289" />
+  <E value="-55646" />
+  <Tmin units="K"  value="338.64" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.0958" />
+  <B value="775.57" />
+  <C value="-0.393" />
+  <D value="-7.9624E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="9.8851E-08" />
+  <B value="0.79377" />
+  <C value="155.28" />
+  <D value="-11568" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.13846" />
+  <B value="2645.2" />
+  <C value="-37.177" />
+  <D value="0.15078" />
+  <E value="-0.00022598" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="413.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00048871" />
+  <B value="1.327" />
+  <C value="43042" />
+  <D value="-3226700" />
+  <Tmin units="K"  value="370.5" />
+  <Tmax units="K"  value="990.5" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.018019" />
+  <B value="28.207" />
+  <C value="-2.8898" />
+  <D value="0.00012339" />
+  <E value="-0.0000039362" />
+  <Tmin units="K"  value="180.26" />
+  <Tmax units="K"  value="564.4" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17680" />
+  <B value="218.52" />
+  <C value="-0.10368" />
+  <D value="0.000017753" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-19.90771" />
+  <B value="-10000" />
+  <C value="-83.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.537" />
+  <B value="3368.2" />
+  <C value="-34.373" />
+  <Tmin units="K"  value="342" />
+  <Tmax units="K"  value="503.75" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.9156" />
+  <B value="-0.0096282" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="370.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.204617" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.690725E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="120.5504" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.204" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="63.79" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="-2.1562" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0289561" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.786785" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.324267" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0708565" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.5445" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.264" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="3.5161" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.324267" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="21760" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0708565" />
+<UnifacVLE name="UNIFAC" >
+  <group id="42"  value="1" />
+  <group id="1"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="28"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="42"  value="1" />
+  <group id="1"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="107-12-0" />
+<Smiles name="SMILES"  value="CCC#N" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2391" />
+<CompoundID name="Name"  value="Dimethyl carbonate" />
+<StructureFormula name="Structure"  value="(CH3O)2CO" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="557" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4800000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.25163" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.261" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="363.24" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="276.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="273.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1825.53" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="90.084" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.084825" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.337" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.247E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20240" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="3.0E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04624" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.04E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.701E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.524E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="321600" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.2E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.98328" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.295E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.551" />
+  <B value="-0.0071164" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="109.26" />
+  <Tmax units="K"  value="273.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.0073625" />
+  <B value="0.022214" />
+  <C value="557" />
+  <D value="0.083013" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="127.2975" />
+  <B value="-8353.984" />
+  <C value="-16.14514" />
+  <D value="0.0000181933" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.291764E+07" />
+  <B value="1.146922" />
+  <C value="-2.489366" />
+  <D value="2.898325" />
+  <E value="-1.182726" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="1690" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="170430" />
+  <B value="-2560.3" />
+  <C value="-9.9628" />
+  <D value="-0.012169" />
+  <E value="0.000014736" />
+  <Tmin units="K"  value="292.95" />
+  <Tmax units="K"  value="361.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="62577" />
+  <B value="-594.2" />
+  <C value="12.53" />
+  <D value="-0.000022352" />
+  <E value="-2.2803E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.17199" />
+  <B value="-186.08" />
+  <C value="-30.494" />
+  <D value="-4242.1" />
+  <E value="2158.1" />
+  <Tmin units="K"  value="274" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-235.18" />
+  <B value="9633.9" />
+  <C value="34.904" />
+  <D value="-0.000038795" />
+  <E value="2" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="438.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="3.5376E-07" />
+  <B value="0.64846" />
+  <C value="244.72" />
+  <D value="-7103.7" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.011223" />
+  <B value="-183.44" />
+  <C value="0.22279" />
+  <D value="-0.0056614" />
+  <E value="0.0000021056" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="363.4" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00023689" />
+  <B value="0.89541" />
+  <C value="568.87" />
+  <D value="19356" />
+  <Tmin units="K"  value="363.4" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0075981" />
+  <B value="639.66" />
+  <C value="-8.4539" />
+  <D value="0.016647" />
+  <E value="-0.000022126" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="548" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4533.1" />
+  <B value="384.59" />
+  <C value="-0.2325" />
+  <D value="0.000052013" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.258" />
+  <B value="-1545" />
+  <C value="-9.27" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.715" />
+  <B value="3264.5" />
+  <C value="-42.989" />
+  <Tmin units="K"  value="335.2" />
+  <Tmax units="K"  value="490.14" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-5.3228" />
+  <B value="-0.0072352" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="438.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.245512" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.904691E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="288.8513" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.261" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="79.89" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0350959" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.075345" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.337" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.084825" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.3822" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.086" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.337" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="20240" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.084825" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="19"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="616-38-6" />
+<Smiles name="SMILES"  value="COC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1392" />
+<CompoundID name="Name"  value="DiEthyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2(OCOO)CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3420000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.35725" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.254676" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="399.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="230.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="118.1322" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.12721" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.3544" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18727.86" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0717693" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.0415E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="4.443408E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.919535" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1202641" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.16122" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.223334" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.45386" />
+  <B value="2817.834" />
+  <C value="-84.304" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="577" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.9807E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="184.18" />
+  <Tmax units="K"  value="423.12" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="170310" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="423.12" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-748.0008" />
+  <B value="383.84" />
+  <C value="-0.1938" />
+  <D value="0.0000364" />
+  <Tmin units="K"  value="126.9366" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000012839" />
+  <B value="1.9951E-08" />
+  <Tmin units="K"  value="263.12" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="8394.8" />
+  <B value="358.12" />
+  <C value="-0.17146" />
+  <D value="0.000031221" />
+  <Tmin units="K"  value="126.94" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.064" />
+  <B value="-1410" />
+  <C value="-8.46" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="450" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.72793" />
+  <B value="3499.52" />
+  <C value="-55.48797" />
+  <Tmin units="K"  value="263" />
+  <Tmax units="K"  value="577" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.386994" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="5.206992E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="327.1211" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254676" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="120.93" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.3544" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0445" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.975" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.3544" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.09721" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.731" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.166" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.3544" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.12721" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
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+  </UnifacVLE>
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+<Umr name="UMR" >
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+  <group id="113"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-58-8" />
+<Smiles name="SMILES"  value="CCOC(=O)OCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="23498" />
+<CompoundID name="Name"  value="Methyl Ethyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3(OCOO)CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="565.93" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3828600" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.30149" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24531" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="385.68" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="258.65" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="104.1054" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1108" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.31086" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="20328.39" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0615386" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="9.065E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="6.510304E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.776586" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1164449" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.608223" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.71522" />
+  <B value="3376.596" />
+  <C value="-49.461" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="565.932" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="2.0559E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="142.15" />
+  <Tmax units="K"  value="348.49" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="144300" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="348.49" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="160.9996" />
+  <B value="288.84" />
+  <C value="-0.1394" />
+  <D value="0.0000245" />
+  <Tmin units="K"  value="104.5463" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000018456" />
+  <B value="2.3505E-08" />
+  <Tmin units="K"  value="203.08" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6744.2" />
+  <B value="268.73" />
+  <C value="-0.12137" />
+  <D value="0.000020359" />
+  <Tmin units="K"  value="104.55" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.80696" />
+  <B value="3020.518" />
+  <C value="-60.22383" />
+  <Tmin units="K"  value="308.544" />
+  <Tmax units="K"  value="565.93" />
+  </AntoineVaporPressure>
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+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="4.355639E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="360.5232" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24531" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="100.41" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0.31086" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0396" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.31086" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1108" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="4.0566" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.626" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.31086" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1108" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
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+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="1" />
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+  </ModifiedUnifac>
+<CAS name="CAS number"  value="623-53-0" />
+<Smiles name="SMILES"  value="CCOC(=O)OC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="27991" />
+<CompoundID name="Name"  value="Methyl Phenyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3(OCOO)C6H5" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="711.76" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3441000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.42129" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.244961" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="491.76" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="152.1494" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.1385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.41299" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19646.23" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0834775" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.0895E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.345156E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.178139E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="931814.4" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.252756" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.07041" />
+  <B value="5677.005" />
+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="711.764" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.6776E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="282.26" />
+  <Tmax units="K"  value="643.91" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="187860" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="643.91" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-37380" />
+  <B value="589.92" />
+  <C value="-0.3882" />
+  <D value="0.0000976" />
+  <Tmin units="K"  value="193.1725" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-3.1139E-07" />
+  <B value="1.4221E-08" />
+  <Tmin units="K"  value="403.23" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-33746" />
+  <B value="553.66" />
+  <C value="-0.32246" />
+  <D value="0.00007832" />
+  <Tmin units="K"  value="193.17" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.9825" />
+  <B value="3769.291" />
+  <C value="-93.16374" />
+  <Tmin units="K"  value="393.408" />
+  <Tmax units="K"  value="711.76" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.455428" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.988531E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="257.1649" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.244961" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="145.71" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.05" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.14" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.41299" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.1385" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.5028" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.358" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.41299" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.1385" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
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+  <group id="11"  value="1" />
+  <group id="19"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="13509-27-8" />
+<Smiles name="SMILES"  value="COC(=O)OC1=CC=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22587" />
+<CompoundID name="Name"  value="Ethyl Phenyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2(OCOO)C6H5" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="729.29" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2529800" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.55209" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.230336" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="522.67" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="166.1762" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18105" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.54406" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18670.52" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.0937081" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.2245E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.138466E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.263844E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="970006.4" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.867867" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.88975" />
+  <B value="5939.5" />
+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="729.29" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.2005E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="299.52" />
+  <Tmax units="K"  value="661.14" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="213870" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="661.14" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-38289" />
+  <B value="684.92" />
+  <C value="-0.4426" />
+  <D value="0.0001095" />
+  <Tmin units="K"  value="198.342" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-0.0000003703" />
+  <B value="1.3217E-08" />
+  <Tmin units="K"  value="427.89" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-32096" />
+  <B value="643.04" />
+  <C value="-0.37254" />
+  <D value="0.000089182" />
+  <Tmin units="K"  value="198.34" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.03089" />
+  <B value="3977.417" />
+  <C value="-104.2059" />
+  <Tmin units="K"  value="418.136" />
+  <Tmax units="K"  value="729.29" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.517543" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.279963E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="274.1277" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.230336" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="166.23" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0644" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.108" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.54406" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18105" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.1772" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.898" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.54406" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18105" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="10"  value="5" />
+  <group id="11"  value="1" />
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+  <group id="21"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
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+  <group id="11"  value="1" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="3878-46-4" />
+<Smiles name="SMILES"  value="CCOC(=O)OC1=CC=CC=C1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="13125" />
+<CompoundID name="Name"  value="DiPhenyl Carbonate" />
+<StructureFormula name="Structure"  value="(C6H5)2(OCOO)" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="799.32" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2796500" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.59685" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.251145" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="572.99" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="352.15" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="214.2202" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18261" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.55805" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.600808E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="18788.28" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.115626" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.4085E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="1.832592E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="2.719642E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="737371.8" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-6.512399E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.41177" />
+  <B value="6810.358" />
+  <C value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="799.323" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.141145E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="362.5371" />
+  <Tmax units="K"  value="760.5541" />
+  </HeatOfVaporization>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="3" />
+  <A value="-164882.8" />
+  <B value="994.6407" />
+  <C value="-0.464037" />
+  <Tmin units="K"  value="362.5371" />
+  <Tmax units="K"  value="760.5541" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-72586.55" />
+  <B value="927.9609" />
+  <C value="-0.573626" />
+  <D value="0.000147143" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-49.44655" />
+  <B value="15931.93" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="311" />
+  <Tmax units="K"  value="760.5541" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-5.128717E-07" />
+  <B value="1.011284E-08" />
+  <Tmin units="K"  value="517.9102" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="3" />
+  <A value="0.101839" />
+  <B value="0.000518198" />
+  <C value="-1.230409E-06" />
+  <Tmin units="K"  value="253.15" />
+  <Tmax units="K"  value="423.15" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="3" />
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+  <B value="0.00020251" />
+  <C value="-1.156856E-07" />
+  <Tmin units="K"  value="473.15" />
+  <Tmax units="K"  value="643.15" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.0985657" />
+  <B value="1.232" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="760.5541" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="29100.65" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.10686" />
+  <B value="4305.355" />
+  <C value="-123.6156" />
+  <Tmin units="K"  value="458.392" />
+  <Tmax units="K"  value="799.32" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.659084" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.671221E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="355.1485" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.251145" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="211.53" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0722" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.272" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.55805" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18261" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="7.6234" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.63" />
+<UniquacQP name="UNIQUAC q'"  units="_"  value="5.634" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.55805" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18261" />
+<UnifacVLE name="UNIFAC" >
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+<Umr name="UMR" >
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+<CAS name="CAS number"  value="102-09-0" />
+<Smiles name="SMILES"  value="C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1366" />
+<CompoundID name="Name"  value="Ethylene carbonate" />
+<StructureFormula name="Structure"  value="-CH2OCOOCH2-" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="806" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6770000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.193" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.195" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="521.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="309.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="309.55" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="8.01004" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="88.0621" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0664942" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.442272" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.841E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="29660" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.5E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.03822" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="4.93E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.069E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.1E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="260000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.0E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09004" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.083E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="17.828" />
+  <B value="-3.9834E-16" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="9.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.5442" />
+  <B value="0.2959" />
+  <C value="806" />
+  <D value="0.28857" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="779.87" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="132.44" />
+  <B value="-12293" />
+  <C value="-15.875" />
+  <D value="0.0000073572" />
+  <E value="2" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="806" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="8.7297E+07" />
+  <B value="-0.075043" />
+  <C value="3.7018" />
+  <D value="-6.1954" />
+  <E value="2.9631" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="779.87" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="4148.7" />
+  <B value="304010" />
+  <C value="-3104" />
+  <D value="10.582" />
+  <E value="-0.012029" />
+  <Tmin units="K"  value="288.15" />
+  <Tmax units="K"  value="298.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-57259" />
+  <B value="-17.021" />
+  <C value="11.366" />
+  <D value="0.0033817" />
+  <E value="-0.0000020646" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="511.15" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="50075" />
+  <B value="-516.61" />
+  <C value="12.288" />
+  <D value="0.000013893" />
+  <E value="-2.689E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.13741" />
+  <B value="-194.4" />
+  <C value="-144.41" />
+  <D value="-699130" />
+  <E value="1646500" />
+  <Tmin units="K"  value="403" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.7402" />
+  <B value="1424.5" />
+  <C value="-0.45708" />
+  <D value="0.0000005934" />
+  <E value="2" />
+  <Tmin units="K"  value="310.93" />
+  <Tmax units="K"  value="372.04" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="8.5517E-08" />
+  <B value="0.85448" />
+  <C value="116.16" />
+  <D value="-3914.9" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00091342" />
+  <B value="-110.82" />
+  <C value="-0.51748" />
+  <D value="-0.0023793" />
+  <E value="3.9376E-07" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="521.35" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.030823" />
+  <B value="0.34958" />
+  <C value="3003.2" />
+  <D value="830800" />
+  <Tmin units="K"  value="521.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.069239" />
+  <B value="49.575" />
+  <C value="-2.2485" />
+  <D value="-0.0002049" />
+  <E value="-5.0141E-07" />
+  <Tmin units="K"  value="309.55" />
+  <Tmax units="K"  value="779.87" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="5956" />
+  <B value="338.31" />
+  <C value="-0.21843" />
+  <D value="0.000052329" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="0.204056" />
+  <B value="-18366.46" />
+  <C value="-107.1818" />
+  <Tmin units="K"  value="309" />
+  <Tmax units="K"  value="806" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.69" />
+  <B value="5599.1" />
+  <C value="-19.097" />
+  <Tmin units="K"  value="492.45" />
+  <Tmax units="K"  value="701.48" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-2.6347" />
+  <B value="-0.013224" />
+  <Tmin units="K"  value="310.93" />
+  <Tmax units="K"  value="372.04" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.202594" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.668715E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="146.3433" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.195" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="75.27" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0299348" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.343115" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.442272" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0664942" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.9288" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.47" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.442272" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="29660" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0664942" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="2"  value="1" />
+  <group id="21"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="96-49-1" />
+<Smiles name="SMILES"  value="C1OC(=O)OC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2367" />
+<CompoundID name="Name"  value="Propylene carbonate" />
+<StructureFormula name="Structure"  value="-OCH(CH3)CH2OCO-" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="778" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="5410000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.246" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.206" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="514.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="218.62" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="224.85" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00116652" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="102.089" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0852768" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.449764" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.413E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="27300" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.65E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04519" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.7E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-6.0116E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.555E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="296300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="9617000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.09674" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.6678E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="15.979" />
+  <B value="-0.0088829" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="89.94" />
+  <Tmax units="K"  value="224.85" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.122" />
+  <B value="0.27599" />
+  <C value="778" />
+  <D value="0.40344" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="102.32" />
+  <B value="-10530" />
+  <C value="-11.489" />
+  <D value="0.0000052921" />
+  <E value="2" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.145898E+08" />
+  <B value="9.998207" />
+  <C value="-26.2884" />
+  <D value="28.38292" />
+  <E value="-11.49051" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="3041.6" />
+  <B value="908.81" />
+  <C value="-3.5669" />
+  <D value="0.00717" />
+  <E value="8.8712E-08" />
+  <Tmin units="K"  value="55" />
+  <Tmax units="K"  value="224.5" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="121750" />
+  <B value="105.89" />
+  <C value="6.5083" />
+  <D value="0.016964" />
+  <E value="-0.000014577" />
+  <Tmin units="K"  value="298.15" />
+  <Tmax units="K"  value="425" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="51696" />
+  <B value="-502.59" />
+  <C value="12.655" />
+  <D value="-0.000076494" />
+  <E value="1.3781E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16441" />
+  <B value="-219.89" />
+  <C value="-163.04" />
+  <D value="-737950" />
+  <E value="1715100" />
+  <Tmin units="K"  value="389" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-818.33" />
+  <B value="28057" />
+  <C value="129.62" />
+  <D value="-0.00022812" />
+  <E value="2" />
+  <Tmin units="K"  value="219" />
+  <Tmax units="K"  value="622.4" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.7119E-08" />
+  <B value="0.92676" />
+  <C value="86.628" />
+  <D value="-9783.8" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.096241" />
+  <B value="6.7832" />
+  <C value="-1.0385" />
+  <D value="-0.00032841" />
+  <E value="-6.9782E-07" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="514.85" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00017416" />
+  <B value="0.94857" />
+  <C value="659.28" />
+  <D value="16364" />
+  <Tmin units="K"  value="514.85" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0051901" />
+  <B value="69.321" />
+  <C value="-3.1157" />
+  <D value="0.00082804" />
+  <E value="-0.0000049222" />
+  <Tmin units="K"  value="224.85" />
+  <Tmax units="K"  value="778" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-6737.7" />
+  <B value="477.48" />
+  <C value="-0.32123" />
+  <D value="0.000080589" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="0.412687" />
+  <B value="-16994.83" />
+  <C value="-34.01907" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="778" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.845" />
+  <B value="4552.5" />
+  <C value="-73.662" />
+  <Tmin units="K"  value="471.91" />
+  <Tmax units="K"  value="690.66" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-1.8879" />
+  <B value="-0.012915" />
+  <Tmin units="K"  value="219" />
+  <Tmax units="K"  value="622.4" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.239863" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.784834E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="172.1134" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.206" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="95.79" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0381263" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.208416" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.449764" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0852768" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.6024" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.006" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.449764" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="27300" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0852768" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="3"  value="1" />
+  <group id="21"  value="1" />
+  <group id="22"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="1" />
+  <group id="2"  value="1" />
+  <group id="3"  value="1" />
+  <group id="120"  value="1" />
+  </Umr>
+<CAS name="CAS number"  value="108-32-7" />
+<Smiles name="SMILES"  value="C1C(C)OC(=O)O1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="2252" />
+<CompoundID name="Name"  value="2-methyl-1-heptene" />
+<StructureFormula name="Structure"  value="CH2C(CH3)CH2(CH2)3CH3" />
+<Family name="Family"  value="11" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="564" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2400000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.497" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.25" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="392.37" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="185.78" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="185.77" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.113498" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="112.213" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.156655" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.35513" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.51E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08521" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.211E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9.699E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="9.32E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="457800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.44E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.948E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.1821" />
+  <B value="-0.0061784" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="74.31" />
+  <Tmax units="K"  value="185.77" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.53765" />
+  <B value="0.25476" />
+  <C value="567.01" />
+  <D value="0.28376" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="567" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="108.46" />
+  <B value="-8257.2" />
+  <C value="-12.941" />
+  <D value="0.0000091062" />
+  <E value="2" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="567" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="5.8021E+07" />
+  <B value="1.4711" />
+  <C value="-3.336" />
+  <D value="3.8018" />
+  <E value="-1.5579" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="546.94" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="208080" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="564" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="88257" />
+  <B value="855.11" />
+  <C value="3.1929" />
+  <D value="0.026245" />
+  <E value="-0.000022451" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="425.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="92500" />
+  <B value="-450.54" />
+  <C value="12.712" />
+  <D value="0.00068864" />
+  <E value="-3.0334E-07" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.26129" />
+  <B value="-298.53" />
+  <C value="-61.563" />
+  <D value="-2356.6" />
+  <E value="-3540.3" />
+  <Tmin units="K"  value="283.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-34.674" />
+  <B value="1655.3" />
+  <C value="3.8693" />
+  <D value="-0.0000085602" />
+  <E value="2" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="5.7686E-07" />
+  <B value="0.51551" />
+  <C value="255.32" />
+  <D value="-429.98" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0714" />
+  <B value="1.7767" />
+  <C value="-1.4729" />
+  <D value="-0.00055517" />
+  <E value="-0.0000010492" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="392.37" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00085233" />
+  <B value="0.71803" />
+  <C value="81.386" />
+  <D value="330930" />
+  <Tmin units="K"  value="392.37" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.01103" />
+  <B value="38.104" />
+  <C value="-3.171" />
+  <D value="0.000054009" />
+  <E value="-0.0000046411" />
+  <Tmin units="K"  value="185.77" />
+  <Tmax units="K"  value="546.94" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="6589.8" />
+  <B value="674.58" />
+  <C value="-0.32408" />
+  <D value="0.00004613" />
+  <Tmin units="K"  value="250" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.992" />
+  <B value="3231.9" />
+  <C value="-50.935" />
+  <Tmin units="K"  value="342.45" />
+  <Tmax units="K"  value="506.81" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.0096" />
+  <B value="-0.012148" />
+  <Tmin units="K"  value="173.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.465787" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.801338E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="250.4819" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.25" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="164.16" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0593532" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.724648" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.35513" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.156655" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.6171" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.844" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.35513" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="15180" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.156655" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="8"  value="1" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="7"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="15870-10-7" />
+<Smiles name="SMILES"  value="C=C(C)CCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22158" />
+<CompoundID name="Name"  value="2-Methoxy-2-Methyl-Heptane" />
+<StructureFormula name="Structure"  value="(CH3O)(CH3)2 C(CH2)4 CH3" />
+<Family name="Family"  value="61" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="618.2025" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2357849" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.53093" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.24355" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="446.7301" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="144.2564" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.18511" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.433286" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14871.82" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.102631" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.448E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-9790565" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-6.029269" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1629362" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.95423E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="200" />
+  <A value="-8.2705" />
+  <B value="2.1937" />
+  <C value="-3.6992" />
+  <D value="-3.7256" />
+  <E value="2357800" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.6655E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="262630" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="618.2" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4265.999" />
+  <B value="921.48" />
+  <C value="-0.5266" />
+  <D value="0.000113" />
+  <Tmin units="K"  value="185.4608" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="-4.0287E-08" />
+  <B value="1.4474E-08" />
+  <Tmin units="K"  value="446.73" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="4302" />
+  <B value="902.18" />
+  <C value="-0.49999" />
+  <D value="0.00010387" />
+  <Tmin units="K"  value="185.46" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.91" />
+  <B value="3457.7" />
+  <C value="-78.254" />
+  <Tmin units="K"  value="312.71" />
+  <Tmax units="K"  value="618.2" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.573677" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="8.229094E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="249.8964" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.24355" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="195.41" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0641327" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.433286" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.18511" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.7654" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.792" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.433286" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="14871.82" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.18511" />
+<UnifacVLE name="UNIFAC" >
+  <group id="25"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="27"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
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+  <group id="2"  value="4" />
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+  <group id="19"  value="1" />
+  </Asog>
+<Umr name="UMR" >
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+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="24"  value="1" />
+  <group id="1"  value="3" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="76589-16-7" />
+<Smiles name="SMILES"  value="CCCCCC(C)COC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="20101" />
+<CompoundID name="Name"  value="2-Methyl-2-Heptanol" />
+<StructureFormula name="Structure"  value="(CH3)2(OH)C(CH2)4CH3" />
+<Family name="Family"  value="46" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="636.6534" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2716180" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48244" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.247551" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="467.6976" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="130.2296" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.15788" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.723562" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17397.3" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.100431" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.476E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-1.238045" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.233886" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1322185" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.204435" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="200" />
+  <A value="-10.016" />
+  <B value="3.415" />
+  <C value="-6.8543" />
+  <D value="-4.7824" />
+  <E value="2716200" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="7.9114E+07" />
+  <B value="0.38" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="1" />
+  <A value="236620" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="636.65" />
+  </SolidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-23566" />
+  <B value="923.66" />
+  <C value="-0.6136" />
+  <D value="0.0001657" />
+  <Tmin units="K"  value="190.996" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="2" />
+  <A value="3.6537E-07" />
+  <B value="1.4972E-08" />
+  <Tmin units="K"  value="467.7" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="17097" />
+  <B value="807.28" />
+  <C value="-0.46601" />
+  <D value="0.00010374" />
+  <Tmin units="K"  value="191" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-4.258161" />
+  <B value="-2650" />
+  <C value="-15.9" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="20.944" />
+  <B value="3604" />
+  <C value="-85.025" />
+  <Tmin units="K"  value="327.39" />
+  <Tmax units="K"  value="636.65" />
+  </AntoineVaporPressure>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.559662" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.816203E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="272.9022" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.247551" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="174.89" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0547474" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.82" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.723562" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.15788" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.6204" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.904" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.723562" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17397.3" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.15788" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="15"  value="1" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="3" />
+  <group id="14"  value="1" />
+  <group id="4"  value="1" />
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
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+  <group id="4"  value="1" />
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+  </Asog>
+<Umr name="UMR" >
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+  <group id="2"  value="4" />
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+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="3" />
+  <group id="2"  value="4" />
+  <group id="4"  value="1" />
+  <group id="81"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="625-25-2" />
+<Smiles name="SMILES"  value="CCCCCC(C)(C)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1431" />
+<CompoundID name="Name"  value="Methylal" />
+<StructureFormula name="Structure"  value="CH3OCH2OCH3" />
+<Family name="Family"  value="25" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="480.6" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3950000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.213" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.211" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="315" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="168" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="168.35" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="1.13284" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.0944" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0891275" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.285565" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.891E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="17430" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="2.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04497" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="6.79E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.482E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.263E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="335700" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="8330000" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="0.82106" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.7998E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="16.704" />
+  <B value="-0.010677" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="67.34" />
+  <Tmax units="K"  value="168.35" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.4351" />
+  <B value="0.30572" />
+  <C value="480.6" />
+  <D value="0.31739" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="62.15058" />
+  <B value="-5217.94" />
+  <C value="-5.982976" />
+  <D value="3.491239E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.956236E+07" />
+  <B value="0.517705" />
+  <C value="0.708214" />
+  <D value="-1.530256" />
+  <E value="0.744705" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-23498" />
+  <B value="1741.5" />
+  <C value="-11.164" />
+  <D value="0.04279" />
+  <E value="-0.000078511" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="168.03" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="134330" />
+  <B value="575.02" />
+  <C value="0.73414" />
+  <D value="0.035906" />
+  <E value="-0.00003541" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="315" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="73387" />
+  <B value="-1249" />
+  <C value="14.774" />
+  <D value="-0.0029552" />
+  <E value="0.0000012399" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.16872" />
+  <B value="-171.97" />
+  <C value="-17.875" />
+  <D value="-56.611" />
+  <E value="-1706.7" />
+  <Tmin units="K"  value="240.3" />
+  <Tmax units="K"  value="1968.3" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-8.4058" />
+  <B value="722.36" />
+  <C value="-0.36572" />
+  <D value="2.4819E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="378.5" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="4.8512E-07" />
+  <B value="0.60235" />
+  <C value="248.43" />
+  <D value="-1208.9" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.11543" />
+  <B value="-776.65" />
+  <C value="7.882" />
+  <D value="-0.041206" />
+  <E value="0.000038121" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="315" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0014869" />
+  <B value="0.65846" />
+  <C value="470.64" />
+  <D value="206460" />
+  <Tmin units="K"  value="315" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.027396" />
+  <B value="-6.2054" />
+  <C value="-2.2451" />
+  <D value="-0.0022104" />
+  <E value="-0.0000012647" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="480.6" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-11636" />
+  <B value="411.45" />
+  <C value="-0.24227" />
+  <D value="0.000049287" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="1000.15" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-2.036011" />
+  <B value="-1350" />
+  <C value="-8.1" />
+  <Tmin units="K"  value="274.15" />
+  <Tmax units="K"  value="444.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21" />
+  <B value="2534.2" />
+  <C value="-47.822" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="431.3" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="-4.1816" />
+  <B value="-0.012718" />
+  <Tmin units="K"  value="168.35" />
+  <Tmax units="K"  value="378.5" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.23868" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.209402E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="115.9081" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.211" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="78.39999" />
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0337574" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.865971" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.285565" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.0891275" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="2.964403" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.716" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.285565" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="17430" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.0891275" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="25"  value="2" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="1" />
+  <group id="27"  value="2" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="19"  value="2" />
+  </Asog>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="1" />
+  <group id="24"  value="2" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="109-87-5" />
+<Smiles name="SMILES"  value="COCOC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1722" />
+<CompoundID name="Name"  value="Methyl DiEthanolAmine" />
+<StructureFormula name="Structure"  value="CH3N(CH2CH2OH)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="741.9" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.365" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.246154" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="520.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="252.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="252.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00203612" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="119.162" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.115302" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.1649" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.366E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="28140" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="9.53993E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.075" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.067E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.8E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-1.69E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="469000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="0" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.06E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="11.449" />
+  <B value="-0.0051119" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="100.86" />
+  <Tmax units="K"  value="252.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.69135" />
+  <B value="0.25418" />
+  <C value="675" />
+  <D value="0.2857" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="675" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="-0.352098" />
+  <B value="-4812.65" />
+  <C value="3.121045" />
+  <D value="6.605463E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="678" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.40201E+08" />
+  <B value="0.632751" />
+  <C value="0.350924" />
+  <D value="-0.633597" />
+  <E value="0.0584955" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="675" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="6425.8" />
+  <B value="839.54" />
+  <C value="-1.7005" />
+  <D value="0.0045352" />
+  <E value="-0.0000053648" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="252.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="181326" />
+  <B value="26.21689" />
+  <C value="0.880838" />
+  <D value="0" />
+  <E value="-0.00001581" />
+  <Tmin units="K"  value="290" />
+  <Tmax units="K"  value="506.25" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="89777" />
+  <B value="-550.24" />
+  <C value="13.01" />
+  <D value="0.000045139" />
+  <E value="-3.2024E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.25763" />
+  <B value="-148.02" />
+  <C value="-177.99" />
+  <D value="-169010" />
+  <E value="271570" />
+  <Tmin units="K"  value="337.5" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-162.0804" />
+  <B value="9995.149" />
+  <C value="22.49076" />
+  <D value="-0.0000361184" />
+  <E value="1.932506" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="7.7364E-08" />
+  <B value="0.84268" />
+  <C value="140.24" />
+  <D value="-9063.1" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.869" />
+  <B value="15" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="518" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00016443" />
+  <B value="0.97072" />
+  <C value="595.54" />
+  <D value="41960" />
+  <Tmin units="K"  value="518" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0388377" />
+  <B value="-28.75677" />
+  <C value="-2.216016" />
+  <D value="-0.00048763" />
+  <E value="-1.144892E-06" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="742" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-4949.1" />
+  <B value="671.33" />
+  <C value="-0.40892" />
+  <D value="0.00009394" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-11.07032" />
+  <B value="-9774.9" />
+  <C value="-6.426155" />
+  <Tmin units="K"  value="303" />
+  <Tmax units="K"  value="675" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="26.512" />
+  <B value="8069.9" />
+  <C value="21.545" />
+  <Tmin units="K"  value="407.94" />
+  <Tmax units="K"  value="592.83" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.0457" />
+  <B value="-0.029282" />
+  <Tmin units="K"  value="252.15" />
+  <Tmax units="K"  value="540" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.405616" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.125674E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="317.4084" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.254" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="126.29" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0511332" />
+<SpecificGravity name="Specific gravity"  units="_"  value="1.04" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.1649" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.115302" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.8841" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="5.5" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.1649" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="28140" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.115302" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="35"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="1" />
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  <group id="15"  value="2" />
+  <group id="35"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="4" />
+  <group id="14"  value="2" />
+  <group id="34"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="105-59-9" />
+<Smiles name="SMILES"  value="CN(CCO)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6861" />
+<CompoundID name="Name"  value="Diethylethanolamine" />
+<StructureFormula name="Structure"  value="HOCH2CH2N(CH2CH3)2" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="616" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2650000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.4231" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.218914" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="434.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="235.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="253" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="4.85244" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="117.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.132864" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.781757" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.407E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="8.11E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08063" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.133E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-2.575E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-3.323E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="459800" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.84E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-4.03338E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="10.088" />
+  <B value="-0.0049843" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="101.2" />
+  <Tmax units="K"  value="253" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.63795" />
+  <B value="0.25988" />
+  <C value="592" />
+  <D value="0.27186" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="442.3122" />
+  <B value="-22650.03" />
+  <C value="-64.35227" />
+  <D value="0.0000641088" />
+  <E value="2" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="6.442525E+07" />
+  <B value="-0.590881" />
+  <C value="4.028331" />
+  <D value="-5.586056" />
+  <E value="2.388691" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="102" />
+  <A value="2220" />
+  <B value="0.79267" />
+  <C value="0" />
+  <D value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="253" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="28933.37" />
+  <B value="738.1104" />
+  <C value="-0.669126" />
+  <D value="0.000593149" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="91061" />
+  <B value="-562.7" />
+  <C value="13.172" />
+  <D value="-0.000023606" />
+  <E value="6.7111E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.27423" />
+  <B value="-227.63" />
+  <C value="-93.133" />
+  <D value="-46929" />
+  <E value="69828" />
+  <Tmin units="K"  value="296" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-83.307" />
+  <B value="6061.8" />
+  <C value="10.089" />
+  <D value="-1.4583E-07" />
+  <E value="2" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="436.15" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.3335E-07" />
+  <B value="0.7599" />
+  <C value="186.08" />
+  <D value="-6648.4" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.0045149" />
+  <B value="-46.605" />
+  <C value="-1.1875" />
+  <D value="-0.0019723" />
+  <E value="-5.2781E-08" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="443" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00013877" />
+  <B value="0.99774" />
+  <C value="582.26" />
+  <D value="23748" />
+  <Tmin units="K"  value="436.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="2" />
+  <A value="0.065" />
+  <B value="-0.00011" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="592" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-23633" />
+  <B value="791.71" />
+  <C value="-0.51703" />
+  <D value="0.00013437" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="23.092" />
+  <B value="4628.3" />
+  <C value="-36.082" />
+  <Tmin units="K"  value="360.05" />
+  <Tmax units="K"  value="520.63" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="6.4" />
+  <B value="-0.04" />
+  <Tmin units="K"  value="253" />
+  <Tmax units="K"  value="436.15" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.438537" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="7.157819E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="298.6167" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.259" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="140.7" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.05675" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.884" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.781757" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.132864" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="5.315095" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="4.532" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="1.602722" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.781757" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="19100" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.132864" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="4" />
+  <group id="15"  value="1" />
+  <group id="31"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="15"  value="1" />
+  <group id="36"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="3" />
+  <group id="14"  value="1" />
+  <group id="35"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="100-37-8" />
+<Smiles name="SMILES"  value="CCN(CC)CCO" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="6864" />
+<CompoundID name="Name"  value="Diisopropanolamine" />
+<StructureFormula name="Structure"  value="CH3CH(OH)CH2NHCH2CH(OH)CH3" />
+<Family name="Family"  value="68" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="672" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="3600000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.454" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.293" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="521.9" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="315" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="318.15" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.217912" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="133.189" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.134763" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.38914" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.694E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="26610" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.08552" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.199E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.54E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2.15E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="513000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="2.636E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-3.82E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="9.4982" />
+  <B value="-0.0037318" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="127.26" />
+  <Tmax units="K"  value="318.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.54022" />
+  <B value="0.24621" />
+  <C value="672" />
+  <D value="0.22052" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="672" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="339.329" />
+  <B value="-25910.98" />
+  <C value="-45.42461" />
+  <D value="0.0000223088" />
+  <E value="2" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.4113E+08" />
+  <B value="0.38119" />
+  <C value="1.0156" />
+  <D value="-1.8242" />
+  <E value="0.83437" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="7629.4" />
+  <B value="876.24" />
+  <C value="-1.519" />
+  <D value="0.0034005" />
+  <E value="-0.0000033304" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="318.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="119382.9" />
+  <B value="778.3072" />
+  <C value="-0.00245385" />
+  <D value="-1.190941E-06" />
+  <E value="-0.0000013464" />
+  <Tmin units="K"  value="300" />
+  <Tmax units="K"  value="400" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="104010" />
+  <B value="-559.93" />
+  <C value="13.272" />
+  <D value="-0.00018865" />
+  <E value="9.0295E-08" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.30241" />
+  <B value="-139.52" />
+  <C value="-203.79" />
+  <D value="-134000" />
+  <E value="160130" />
+  <Tmin units="K"  value="336" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-158.9768" />
+  <B value="13684.82" />
+  <C value="19.79212" />
+  <D value="0.0000178855" />
+  <E value="1.442815" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="537.6" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="1.7289E-07" />
+  <B value="0.71286" />
+  <C value="205.1" />
+  <D value="-6089.6" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.070378" />
+  <B value="-101.18" />
+  <C value="-0.46641" />
+  <D value="-0.0021528" />
+  <E value="2.0992E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="521.9" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.0002313" />
+  <B value="0.90558" />
+  <C value="651.81" />
+  <D value="18136" />
+  <Tmin units="K"  value="521.9" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.091653" />
+  <B value="26.019" />
+  <C value="-2.0608" />
+  <D value="-0.00014789" />
+  <E value="-5.9445E-07" />
+  <Tmin units="K"  value="318.15" />
+  <Tmax units="K"  value="672" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-15774" />
+  <B value="849.72" />
+  <C value="-0.60159" />
+  <D value="0.00017226" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-12.64602" />
+  <B value="-6935" />
+  <C value="-41.61" />
+  <Tmin units="K"  value="284.15" />
+  <Tmax units="K"  value="454.15" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="24.415" />
+  <B value="5143.2" />
+  <C value="-123.48" />
+  <Tmin units="K"  value="406.61" />
+  <Tmax units="K"  value="601.23" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="12" />
+  <A value="8.486" />
+  <B value="-0.034714" />
+  <Tmin units="K"  value="303.15" />
+  <Tmax units="K"  value="537.6" />
+  </LiquidViscosityRPS>
+<COSTALDVolume name="COSTLD characteristic volume (V*)"  units="m3/kmol"  value="0.467647" />
+<DiameterLJ name="Lennard Jones diameter"  units="m"  value="6.25685E-10" />
+<EnergyLJ name="Lennard Jones energy"  units="K"  value="528.4525" />
+<RacketParameter name="Rackett parameter"  units="_"  value="0.293" />
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="146.81" />
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.057223" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.999" />
+<Charge name="Charge"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.38914" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.134763" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="6.5774" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="6.028" />
+<ApiSrkS1 name="API-SRK s1"  units="_"  value="2.339337" />
+<ApiSrkS2 name="API-SRK s2"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="1.38914" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="26610" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.134763" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </UnifacVLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="2" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="30"  value="1" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="15"  value="2" />
+  <group id="33"  value="1" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="1" />
+  <group id="3"  value="2" />
+  <group id="14"  value="2" />
+  <group id="32"  value="1" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="110-97-4" />
+<Smiles name="SMILES"  value="CC(O)CNCC(O)C" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="102" />
+<CompoundID name="Name"  value="Cyclobutane" />
+<StructureFormula name="Structure"  value="-(CH2)4-" />
+<Family name="Family"  value="5" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="459.93" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4980000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.21" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.273" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="285.66" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="182.48" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="182.48" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="180.101" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="56.1063" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0814243" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.18474" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.45E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16020" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04092" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="5.4E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="2.85E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.122E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="265400" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1088000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.5678E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="14.96111" />
+  <B value="0.0000555916" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="173" />
+  <Tmax units="K"  value="182.5" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.407691" />
+  <B value="0.295395" />
+  <C value="459.93" />
+  <D value="0.248729" />
+  <E value="0" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="60.70694" />
+  <B value="-4389.85" />
+  <C value="-6.086364" />
+  <D value="7.387074E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="3.344974E+07" />
+  <B value="0.35995" />
+  <C value="-0.0547115" />
+  <D value="0.0583309" />
+  <E value="-0.0233634" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-24126" />
+  <B value="1646.5" />
+  <C value="-13.114" />
+  <D value="0.043967" />
+  <E value="0" />
+  <Tmin units="K"  value="25" />
+  <Tmax units="K"  value="120" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-3355.973" />
+  <B value="25.71519" />
+  <C value="11.14976" />
+  <D value="-0.0000199586" />
+  <E value="4.55626E-06" />
+  <Tmin units="K"  value="190" />
+  <Tmax units="K"  value="298.1501" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="37380.05" />
+  <B value="-673.6637" />
+  <C value="12.72112" />
+  <D value="-0.000063263" />
+  <E value="1.539025E-09" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.130037" />
+  <B value="-132.3643" />
+  <C value="-8.684027" />
+  <D value="-204.0061" />
+  <E value="215.6664" />
+  <Tmin units="K"  value="230" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="0.0000263799" />
+  <B value="486.4199" />
+  <C value="-9.034853" />
+  <D value="-0.00420404" />
+  <E value="4.708051E-07" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="367.9399" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="2.344771E-06" />
+  <B value="-353.1514" />
+  <C value="-11.15186" />
+  <D value="0.000996526" />
+  <E value="-0.0000002755" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="999.9998" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.0169674" />
+  <B value="14.7154" />
+  <C value="-1.831383" />
+  <D value="-0.000155026" />
+  <E value="-0.0000048849" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="285.6601" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00541541" />
+  <B value="-765.5803" />
+  <C value="-2.581507" />
+  <D value="0.00174448" />
+  <E value="-3.307726E-07" />
+  <Tmin units="K"  value="285.66" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.00834272" />
+  <B value="113.8985" />
+  <C value="-4.119698" />
+  <D value="0.00522719" />
+  <E value="-0.00001579" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="459.93" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="37226.21" />
+  <B value="-77.82548" />
+  <C value="0.815135" />
+  <D value="-0.000593048" />
+  <E value="0" />
+  <Tmin units="K"  value="50" />
+  <Tmax units="K"  value="400" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.94339" />
+  <B value="3076.728" />
+  <C value="10.52672" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="204.95" />
+  <Tmax units="K"  value="433.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-11.36515" />
+  <B value="-1019.814" />
+  <C value="55.89796" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="182.48" />
+  <Tmax units="K"  value="367.94" />
+  </LiquidViscosityRPS>
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0308894" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.698393" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="4" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="4" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="4" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="2"  value="4" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="2"  value="4" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="78"  value="4" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="287-23-0" />
+<Smiles name="SMILES"  value="C1CCC1" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1810" />
+<CompoundID name="Name"  value="Isopropyl mercaptan" />
+<StructureFormula name="Structure"  value="(CH3)2CHSH" />
+<Family name="Family"  value="41" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="517.3" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="4750000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.254" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.281" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="325.75" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="142.61" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="142.64" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00973089" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="76.1606" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0941865" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.21381" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="2.993E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16970" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="5.47E-30" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.04893" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.1E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-7.59E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-2180000" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="324300" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="5736000" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-2.3684E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="0" />
+  <B value="0" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="0" />
+  <Tmax units="K"  value="1" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="1.093001" />
+  <B value="0.27762" />
+  <C value="517" />
+  <D value="0.29781" />
+  <E value="0" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="497.2953" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="52.49398" />
+  <B value="-5018.813" />
+  <C value="-4.414151" />
+  <D value="1.969036E-13" />
+  <E value="2" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="4.07186E+07" />
+  <B value="0.189905" />
+  <C value="0.420769" />
+  <D value="-0.0231137" />
+  <E value="-0.258009" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-18220" />
+  <B value="1882.6" />
+  <C value="-19.293" />
+  <D value="0.0884" />
+  <E value="0" />
+  <Tmin units="K"  value="14.62" />
+  <Tmax units="K"  value="110.2699" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="-4182.09" />
+  <B value="11.57821" />
+  <C value="11.69322" />
+  <D value="0.0000133303" />
+  <E value="0.0000020152" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="350" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="68588.92" />
+  <B value="-673.2911" />
+  <C value="12.50044" />
+  <D value="1.486465E-06" />
+  <E value="-1.964897E-08" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.153422" />
+  <B value="-199.5338" />
+  <C value="-18.99653" />
+  <D value="1144.562" />
+  <E value="-4039.504" />
+  <Tmin units="K"  value="257" />
+  <Tmax units="K"  value="1542" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="0.0000158085" />
+  <B value="630.9957" />
+  <C value="-8.670452" />
+  <D value="-0.006493" />
+  <E value="5.676279E-06" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="325.71" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="2.562672E-06" />
+  <B value="-300.3637" />
+  <C value="-11.49051" />
+  <D value="0.00155043" />
+  <E value="-4.080467E-07" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.019346" />
+  <B value="8.361977" />
+  <C value="-1.76982" />
+  <D value="-0.000539416" />
+  <E value="-3.287583E-06" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="325.71" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="0.00018367" />
+  <B value="0.9627" />
+  <C value="646.01" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="325.71" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="-0.0111776" />
+  <B value="26.63325" />
+  <C value="-3.053494" />
+  <D value="0.000331969" />
+  <E value="-0.0000062853" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="517.0001" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="46207.41" />
+  <B value="65.01495" />
+  <C value="0.499267" />
+  <D value="-0.000522701" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="487.2" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.08291" />
+  <B value="2786.592" />
+  <C value="-34.12406" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="168.7" />
+  <Tmax units="K"  value="457.97" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-10.66501" />
+  <B value="-828.3052" />
+  <C value="4.074317" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="142.61" />
+  <Tmax units="K"  value="323.15" />
+  </LiquidViscosityRPS>
+<Parachor name="Parachor"  units="kg0.25.m3/s0.5/kmol"  value="0.0360599" />
+<SpecificGravity name="Specific gravity"  units="_"  value="0.81887" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.225445" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="2.84" />
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="1" />
+  </GCmethod>
+<CAS name="CAS number"  value="75-33-2" />
+<Smiles name="SMILES"  value="CC(C)S" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="1231" />
+<CompoundID name="Name"  value="Glycerol" />
+<StructureFormula name="Structure"  value="HOCH2CH(OH)CH2OH" />
+<Family name="Family"  value="49" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="725.15" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="6660000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.264" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.28" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="563.15" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="291.15" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="291.33" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00952225" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="92.0938" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.0732027" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="1.544133" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="3.52E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="34540" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="1.4E-29" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.05136" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="7.65E+08" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-5.828E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="-4.471E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="396000" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="1.831E+07" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.477E+09" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="2" />
+  <A value="15.131" />
+  <B value="-0.002161" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="90.15" />
+  <Tmax units="K"  value="291.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.933664" />
+  <B value="0.246209" />
+  <C value="850" />
+  <D value="0.220672" />
+  <E value="0" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="850" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="99.57469" />
+  <B value="-13673.87" />
+  <C value="-10.09699" />
+  <D value="1.227718E-11" />
+  <E value="2" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="850" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.1E+08" />
+  <B value="1" />
+  <C value="-2.5" />
+  <D value="3.4" />
+  <E value="-1.65" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="765" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-14764.07" />
+  <B value="1034.972" />
+  <C value="-4.074509" />
+  <D value="0.00802715" />
+  <E value="0" />
+  <Tmin units="K"  value="25.25" />
+  <Tmax units="K"  value="273.15" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="115.6361" />
+  <B value="-33.33621" />
+  <C value="11.80006" />
+  <D value="0.00238285" />
+  <E value="-0.0000010098" />
+  <Tmin units="K"  value="187.4" />
+  <Tmax units="K"  value="560.9999" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="16" />
+  <A value="31366.31" />
+  <B value="-311.2541" />
+  <C value="12.31511" />
+  <D value="0.000195602" />
+  <E value="1.752076E-09" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200.15" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.151103" />
+  <B value="-224.6228" />
+  <C value="-138.7965" />
+  <D value="-370017.6" />
+  <E value="689661.3" />
+  <Tmin units="K"  value="425" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-27" />
+  <B value="-10000" />
+  <C value="70" />
+  <Tmin units="K"  value="260" />
+  <Tmax units="K"  value="500" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="16" />
+  <A value="1.418624E-06" />
+  <B value="-375.5227" />
+  <C value="-11.1197" />
+  <D value="0.000710923" />
+  <E value="4.531819E-08" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="999.9998" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="0.00821317" />
+  <B value="-13.47096" />
+  <C value="-1.285018" />
+  <D value="0.000197192" />
+  <E value="1.226656E-07" />
+  <Tmin units="K"  value="293.15" />
+  <Tmax units="K"  value="550.0002" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="16" />
+  <A value="-0.00880104" />
+  <B value="-445.7976" />
+  <C value="-2.857337" />
+  <D value="0.000677005" />
+  <E value="8.722756E-08" />
+  <Tmin units="K"  value="561" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="16" />
+  <A value="0.00257537" />
+  <B value="-91.44758" />
+  <C value="-2.249489" />
+  <D value="0.000263632" />
+  <E value="-0.0000036975" />
+  <Tmin units="K"  value="291.33" />
+  <Tmax units="K"  value="453.1501" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-79.42597" />
+  <B value="492.8435" />
+  <C value="-0.403453" />
+  <D value="0.000139591" />
+  <E value="0" />
+  <Tmin units="K"  value="273" />
+  <Tmax units="K"  value="1200" />
+  </RPPHeatCapacityCp>
+<RelativeStaticPermittivity name="Relative static permittivity"  units="_" >
+  <eqno value="120" />
+  <A value="-18.591" />
+  <B value="-10000" />
+  <C value="-139.59" />
+  <Tmin units="K"  value="274" />
+  <Tmax units="K"  value="444" />
+  </RelativeStaticPermittivity>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.09229" />
+  <B value="4300" />
+  <C value="-125" />
+  <Tmin units="K"  value="280" />
+  <Tmax units="K"  value="725.15" />
+  </AntoineVaporPressure>
+<LiquidViscosityRPS name="Liquid viscosity (RPS)"  units="Pa.s" >
+  <eqno value="10" />
+  <A value="-27" />
+  <B value="-10000" />
+  <C value="70" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="231.15" />
+  <Tmax units="K"  value="473.15" />
+  </LiquidViscosityRPS>
+<SpecificGravity name="Specific gravity"  units="_"  value="1.26078" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="1.544133" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="3.385629" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="3.06" />
+<UnifacVLE name="UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="3" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </Asog>
+<Umr name="UMR" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="15"  value="3" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="2"  value="2" />
+  <group id="3"  value="1" />
+  <group id="14"  value="3" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="56-81-5" />
+<Smiles name="SMILES"  value="C(C(CO)O)O" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="73" />
+<CompoundID name="Name"  value="N-eicosane" />
+<StructureFormula name="Structure"  value="CH3(CH2)18CH3" />
+<Family name="Family"  value="1" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="767" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="1160000" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="1.19" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.213" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="616.95" />
+<NormalMeltingPointTemperature name="Melting point"  units="K"  value="309.58" />
+<TriplePointTemperature name="Triple point temperature"  units="K"  value="309.58" />
+<TriplePointPressure name="Triple point pressure"  units="Pa"  value="0.00925737" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="282.547" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.360385" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.9065" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="8.364E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="16000" />
+<DipoleMoment name="Dipole moment"  units="Coulomb.m"  value="0" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.2115" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="2.854E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-4.5576E+08" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.157E+08" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="934120" />
+<HeatOfFusionAtMeltingPoint name="Heat of fusion at melting point"  units="J/kmol"  value="7.03E+07" />
+<MatthiasCopemanC1 name="Mathias-Copeman C1"  units="_"  value="1.758045" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-1.239199E+10" />
+<SolidDensity name="Solid density"  units="kmol/m3" >
+  <eqno value="100" />
+  <A value="4.0147" />
+  <B value="-0.0026629" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="305.15" />
+  </SolidDensity>
+<LiquidDensity name="Liquid density"  units="kmol/m3" >
+  <eqno value="105" />
+  <A value="0.18166" />
+  <B value="0.23351" />
+  <C value="768" />
+  <D value="0.28571" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </LiquidDensity>
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="101" />
+  <A value="164.6909" />
+  <B value="-17503.89" />
+  <C value="-19.74205" />
+  <D value="5.399206E-06" />
+  <E value="2" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </VaporPressure>
+<HeatOfVaporization name="Heat of vaporization"  units="J/kmol" >
+  <eqno value="106" />
+  <A value="1.286E+08" />
+  <B value="0.50351" />
+  <C value="0.32986" />
+  <D value="-0.42184" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </HeatOfVaporization>
+<SolidHeatCapacityCp name="Solid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="-5403.1" />
+  <B value="3223.5" />
+  <C value="-13.079" />
+  <D value="0.030371" />
+  <E value="0" />
+  <Tmin units="K"  value="93.6" />
+  <Tmax units="K"  value="267.7" />
+  </SolidHeatCapacityCp>
+<LiquidHeatCapacityCp name="Liquid heat capacity"  units="J/kmol/K" >
+  <eqno value="100" />
+  <A value="352720" />
+  <B value="807.32" />
+  <C value="0.2122" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidHeatCapacityCp>
+<IdealGasHeatCapacityCp name="Ideal gas heat capacity"  units="J/kmol/K" >
+  <eqno value="107" />
+  <A value="324810" />
+  <B value="1109000" />
+  <C value="1636" />
+  <D value="745000" />
+  <E value="726.27" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </IdealGasHeatCapacityCp>
+<SecondVirialCoefficient name="Second virial coefficient"  units="m3/kmol" >
+  <eqno value="104" />
+  <A value="0.79988" />
+  <B value="-668.4507" />
+  <C value="-770.312" />
+  <D value="-904093.1" />
+  <E value="1246935" />
+  <Tmin units="K"  value="384" />
+  <Tmax units="K"  value="1500" />
+  </SecondVirialCoefficient>
+<LiquidViscosity name="Liquid viscosity"  units="Pa.s" >
+  <eqno value="101" />
+  <A value="-10.5557" />
+  <B value="1830.385" />
+  <C value="-0.148602" />
+  <D value="-7.471032E-06" />
+  <E value="-7.49069E-06" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidViscosity>
+<VaporViscosity name="Vapour viscosity"  units="Pa.s" >
+  <eqno value="102" />
+  <A value="2.9236E-07" />
+  <B value="0.62458" />
+  <C value="702.84" />
+  <D value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="1000" />
+  </VaporViscosity>
+<LiquidThermalConductivity name="Liquid thermal conductivity"  units="W/m/K" >
+  <eqno value="100" />
+  <A value="0.2178" />
+  <B value="-0.0002233" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="616.93" />
+  </LiquidThermalConductivity>
+<VaporThermalConductivity name="Vapour thermal conductivity"  units="W/m/K" >
+  <eqno value="102" />
+  <A value="-375.32" />
+  <B value="1.0708" />
+  <C value="-8.7836E+09" />
+  <D value="0" />
+  <Tmin units="K"  value="616.93" />
+  <Tmax units="K"  value="1000" />
+  </VaporThermalConductivity>
+<SurfaceTension name="Surface tension"  units="N/m" >
+  <eqno value="106" />
+  <A value="0.058226" />
+  <B value="1.4495" />
+  <C value="0" />
+  <D value="0" />
+  <E value="0" />
+  <Tmin units="K"  value="309.58" />
+  <Tmax units="K"  value="768" />
+  </SurfaceTension>
+<RPPHeatCapacityCp name="Ideal gas heat capacity (RPP)"  units="J/kmol/K" >
+  <eqno value="4" />
+  <A value="-1502.245" />
+  <B value="1850.479" />
+  <C value="-1.010299" />
+  <D value="0.000213775" />
+  <Tmin units="K"  value="200" />
+  <Tmax units="K"  value="1500" />
+  </RPPHeatCapacityCp>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="28.5" />
+  <B value="9800" />
+  <C value="-10" />
+  <Tmin units="K"  value="273.15" />
+  <Tmax units="K"  value="500" />
+  </AntoineVaporPressure>
+<MatthiasCopemanC2 name="Mathias-Copeman C2"  units="_"  value="0" />
+<CostaldAcentricFactor name="SRK acentric factor"  units="_"  value="0.9065" />
+<WilsonVolume name="Wilson volume"  units="m3/kmol"  value="0.360385" />
+<UniquacR  name="UNIQUAC r"  units="_"  value="13.9414" />
+<UniquacQ  name="UNIQUAC q"  units="_"  value="11.416" />
+<MatthiasCopemanC3 name="Mathias-Copeman C3"  units="_"  value="0" />
+<ChaoSeaderAcentricFactor name="Chao-Seader acentric factor"  units="_"  value="0.9065" />
+<ChaoSeaderSolubilityParameter name="Chao-Seader solubility parameter"  units="J0.5/m1.5"  value="16000" />
+<ChaoSeaderLiquidVolume name="Chao-Seader liquid volume"  units="m3/kmol"  value="0.360385" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </UnifacVLE>
+<UnifacLLE name="UNIFAC-LLE" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </UnifacLLE>
+<Asog name="ASOG" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </Asog>
+<GCmethod name="PPR78" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </GCmethod>
+<Umr name="UMR" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </Umr>
+<ModifiedUnifac name="Modified UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="18" />
+  </ModifiedUnifac>
+<CAS name="CAS number"  value="112-95-8" />
+<Smiles name="SMILES"  value="CCCCCCCCCCCCCCCCCCCC" />
+</compound>
+
+<compound>
+<LibraryIndex name="Index"  value="22908" />
+<CompoundID name="Name"  value="DiButyl Carbonate" />
+<StructureFormula name="Structure"  value="CH3CH2CH2CH2(OCOO)CH2CH2CH2CH3" />
+<Family name="Family"  value="45" />
+<CriticalTemperature name="Critical temperature"  units="K"  value="577.9457" />
+<CriticalPressure name="Critical pressure"  units="Pa"  value="2554740" />
+<CriticalVolume name="Critical volume"  units="m3/kmol"  value="0.48029" />
+<CriticalCompressibility name="Critical compressibility factor"  units="_"  value="0.255346" />
+<NormalBoilingPointTemperature name="Normal boiling point"  units="K"  value="480.6" />
+<MolecularWeight name="Molecular weight"  units="kg/kmol"  value="174.2374" />
+<LiquidVolumeAtNormalBoilingPoint name="Liquid molar volume at normal boiling point"  units="m3/kmol"  value="0.16285" />
+<AcentricityFactor name="Acentric factor"  units="_"  value="0.380499" />
+<RadiusOfGyration name="Radius of gyration"  units="m"  value="4.505894E-10" />
+<SolubilityParameter name="Solubility parameter"  units="J0.5/m1.5"  value="14896.02" />
+<VanDerWaalsVolume name="Van der Waals volume"  units="m3/kmol"  value="0.112724" />
+<VanDerWaalsArea name="Van der Waals area"  units="m2/kmol"  value="1.5825E+09" />
+<HeatOfFormation name="IG heat of formation"  units="J/kmol"  value="-3.824176E+07" />
+<GibbsEnergyOfFormation name="IG Gibbs energy of formation"  units="J/kmol"  value="1.508667E+07" />
+<AbsEntropy name="IG absolute entropy"  units="J/kmol/K"  value="1355409" />
+<HeatOfCombustion name="Standard net heat of combustion"  units="J/kmol"  value="-5.683778E+09" />
+<VaporPressure name="Vapour pressure"  units="Pa" >
+  <eqno value="10" />
+  <A value="22.02883" />
+  <B value="4492.482" />
+  <C value="-50.81" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="577" />
+  </VaporPressure>
+<AntoineVaporPressure name="Antoine"  units="Pa" >
+  <eqno value="10" />
+  <A value="21.00609" />
+  <B value="3745.612" />
+  <C value="-83.77373" />
+  <Tmin units="K"  value="383" />
+  <Tmax units="K"  value="577.9457" />
+  </AntoineVaporPressure>
+<FullerVolume name="Fuller et al. diffusion volume"  units="_"  value="203.01" />
+<Charge name="Charge"  units="_"  value="0" />
+<UnifacVLE name="UNIFAC" >
+  <group id="1"  value="2" />
+  <group id="2"  value="6" />
+  <group id="120"  value="1" />
+  </UnifacVLE>
+<CAS name="CAS number"  value="542-52-9" />
+<Smiles name="SMILES"  value="CCCCOC(=O)OCCCC" />
+</compound>
+
+</compounds>
diff --git a/component_selector.py b/component_selector.py
index 5d11087..89fbf86 100644
--- a/component_selector.py
+++ b/component_selector.py
@@ -1,59 +1,156 @@
+# -*- coding: utf-8 -*-
+"""
+Created on Wed Dec 25 17:41:56 2019
+
+@author: Eshika Mahajan
+"""
+
+'''
+
+after one simulation all the instances get recreated and the program runs afresh. 
+Thus new database.mo wil not have the gen prop of the previous iteration's compounds'
+same goes with lists and all ot
+
+'''
+'''
+FUNCTION(COMPOUNDSELECTION)
+any compound selected , compound selection function will first check whether the text
+written in lineEdit is a part of database or not by checking the text entered with 
+LINES that contain the list of all the compiundsin the database.
+if it is a part of database then it will proceed further else it will show error
+
+'''
+'''
+FINCTION(CREATIN_MO_FILE)
+the below codes fetch the general properties of the compiund selected from
+Database.py in the form of lists.
+first creates the combined list 'comp_prop_list' of gen prop of all the compounds
+then appended with one starting line 'package database' and end with 'end database'
+and the extension will be changed to .mo file.
+    
+'''
+
 from PyQt5.QtCore import *
 from PyQt5.QtWidgets import *
 from PyQt5.QtGui import *
 from PyQt5.uic import loadUiType
 import pandas as pd
+from Simulator.Databases.Databases import ChemsepDatabase
 ui_dialog,_ = loadUiType('comp_selector.ui')
 
 
-df = pd.read_csv("compoundsDatabase.csv")
-compound_selected = []
+#df = pd.read_csv("compoundsDatabase.csv")
+
+compound_selected = [] #list storing components that are selected inintialised as empty
+
 class componentSelector(QDialog,ui_dialog):
     def __init__(self,parent=None):
         #super(componentSelector,self).__init__(parent)
+       
         QDialog.__init__(self,parent)
-        self.setupUi(self)
-        
-        self.lines = [line.rstrip('\n') for line in open('compounds.txt')]
-        model = QStringListModel()
-        model.setStringList(self.lines)
 
-        completer = QCompleter()
-        completer.setCaseSensitivity(Qt.CaseInsensitive)
-        completer.setModel(model)
+        self.setupUi(self)
     
-        self.lineEdit.setCompleter(completer)
+        self.Dict1=dict()#empty dictionary which will store the obj and its compound
+        #self.DB1=#instance of Database class in Database.py module 
+        self.instance=[ChemsepDatabase()]  #list of all the instances
+        self.lines=[]
         
+        for i in self.instance:
+            x=i.get_comp_name_list()
+            self.Dict1[i]=x
+            self.lines+=x
+        print(self.lines)
+            
+            
+        #self.DB1_list=self.DB1.get_comp_name_list()
+		#storingchemsep
+        #database compound list in DB1_list
+        #self.Dict1[self.DB1]=self.DB1_list #storing the list as a value and the db as key in dictionary
+        #self.lines=self.DB1_list #combined list of all the edited compounds        
+       
+        self.model = QStringListModel()
+        self.model.setStringList(self.lines)
+        
+        self.completer = QCompleter()
+        self.completer.setCaseSensitivity(Qt.CaseInsensitive)
+        self.completer.setModel(self.model)
+        #QCompleter completes the text written in lineedit    
+        self.lineEdit.setCompleter(self.completer)  
+		
         self.compoundSelectButton.clicked.connect(self.compoundSelection)
         self.compoundSelectButton.setAutoDefault(False)
         self.pushButton.clicked.connect(self.accept)
         self.pushButton_2.clicked.connect(self.cancel)
         self.pushButton_3.clicked.connect(self.removeItems)
+        
+        
+    def final_list(self,*list_name):
+        self.list_final=[]
+        #add multiple lists
+        for i in list_name:
+            self.list_final+=i
+        return (self.list_final)
 
     def isCompSelected(self):
         if not compound_selected:
             return False
         else:
-            return True
-            
-    def compoundSelection(self):
-        comp = self.lineEdit.text()
-        if comp in self.lines:
+            return True        
+  
+  #attrib:
+    #CAS fro CAS Number
+    #CompoundID for Name
+    #Smiles for Molecular Formula
+    #MolecularWeight for Molecular Weight
 
-            compound_selected.append(comp)
+#the below function will match the entered compound and get the database obj 
+        #of the corresponding database
+        
+    def get_object(self,component):
+        for ele in self.Dict1:
+            values=self.Dict1[ele]
+            for ind in values:
+                if ind ==component:
+                    return(ele)
+                
+                
+#the below finction removes the before added extra string from the cmpounds 
+    def get_original_name(self,component,removing_attrib):
+        self.temp_comp= component.replace(removing_attrib,'')
+        return(self.temp_comp)
+    
+    
+    
+    def compoundSelection(self):
+        
+        self.comp = self.lineEdit.text()      #gets entered text
+        if self.comp in self.lines: #matches with the db
+            self.obj=self.get_object(self.comp)   #obj will store the key of the dictionary
+            #and thus store the instance of the class to which  the component belongs
+            self.removing_attrib='(' + self.obj.name + ')' #getting the attribute that is to be removed
+            self.comp=self.get_original_name(self.comp,self.removing_attrib)
+            #getting only air, water etc from air chemsep etc
+            compound_selected.append(self.comp)    #appending that in the list
+            
+            self.prop_list=self.obj.get_comp_prop(self.comp) #getting prop of the comp
+            #obj is the required class  object
+           # self.creating_mo_file()
+            self.final_mo()
+            
             self.lineEdit.clear()
             print(compound_selected)
-            #self.addCompToList(comp)
-            a = df.loc[df['Name'] == comp]
-            print(a)
-            self.addToTable(a)
-            #print(compound_selected)
-            '''
-            except Exception as e:
-                exc_type, exc_obj, exc_tb = sys.exc_info()
-                fname = os.path.split(exc_tb.tb_frame.f_code.co_filename)[1]
-                print(exc_type, fname, exc_tb.tb_lineno)
-            '''
+            
+            self.CAS=self.obj.get_value(self.comp,'CAS')
+            self.Name=self.comp
+            self.MolecularFormula=self.obj.get_value(self.comp,'Smiles')
+            self.MolecularWeight=self.obj.get_value(self.comp,'MolecularWeight')
+            
+            Dict={'CAS':self.CAS,'Name':self.Name,'Molecular Formula':self.MolecularFormula,'Molecular Weight':self.MolecularWeight}
+            #converted everything to a dictionary which will be passes to addtable 
+            #function as a parameter.
+            print(Dict)
+            self.addToTable(Dict)
         else:
             self.Show_Error()
 
@@ -61,10 +158,10 @@ class componentSelector(QDialog,ui_dialog):
         try:
             rowPosition = self.tableWidget.rowCount()
             self.tableWidget.insertRow(rowPosition)
-            self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(str(a.iloc[0][0])))
-            self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(str(a.iloc[0][1])))
-            self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(str(a.iloc[0][2])))
-            self.tableWidget.setItem(rowPosition , 3, QTableWidgetItem(str(a.iloc[0][3])))
+            self.tableWidget.setItem(rowPosition , 0, QTableWidgetItem(str(a['CAS'])))
+            self.tableWidget.setItem(rowPosition , 1, QTableWidgetItem(str(a['Name'])))
+            self.tableWidget.setItem(rowPosition , 2, QTableWidgetItem(str(a['Molecular Formula'])))
+            self.tableWidget.setItem(rowPosition , 3, QTableWidgetItem(str(a['Molecular Weight'])))
         except Exception as e:
             exc_type, exc_obj, exc_tb = sys.exc_info()
             fname = os.path.split(exc_tb.tb_frame.f_code.co_filename)[1]
@@ -79,7 +176,7 @@ class componentSelector(QDialog,ui_dialog):
         item = self.tableWidget.item(self.tableWidget.currentRow(),1).text()
         self.tableWidget.removeRow(self.tableWidget.currentRow())
         
-        compound_selected.remove(item)	
+        compound_selected.remove(item)    
 
     def Show_Error(self):
         QMessageBox.about(self, 'Important', "Selected Compound is not Available")
@@ -91,7 +188,20 @@ class componentSelector(QDialog,ui_dialog):
     
     def getComp(self):
         return compound_selected
+     
+    def final_mo(self):
+        self.f_mo=open('Simulator/database.mo','w+')
+        self.f_mo.write('package database\n')
+        for line in self.prop_list:
+            self.f_mo.write(line)
+        self.f_mo.write('\n')   
+        self.f_mo.write('\nend database;')
+        self.f_mo.close()
+        
+ 
 
 
+    
+    
 
 
diff --git a/compounds.txt b/compounds.txt
deleted file mode 100644
index 558419e..0000000
--- a/compounds.txt
+++ /dev/null
@@ -1,431 +0,0 @@
-Air
-Argon
-Bromine
-Carbon tetrachloride
-Carbon monoxide
-Carbon dioxide
-Carbon disulfide
-Phosgene
-Trichloroacetyl chloride
-Hydrogen chloride
-Chlorine
-Hydrogen iodide
-Hydrogen
-Water
-Hydrogen sulfide
-Ammonia
-Neon
-Nitric acid
-Nitric oxide
-Nitrogen dioxide
-Nitrogen
-Nitrous oxide
-Oxygen
-Sulfur dioxide
-Sulfur trioxide
-Chloroform
-Hydrogen cyanide
-Formaldehyde
-Methyl chloride
-Methyl iodide
-Methane
-Methanol
-Methylamine
-Trichloroethylene
-Dichloroacetyl chloride
-Trichloroacetaldehyde
-Acetylene
-Dichloroacetaldehyde
-Vinyl chloride
-Acetyl chloride
-1,1,2-trichloroethane
-Acetonitrile
-Ethylene
-1,1-dichloroethane
-1,2-dichloroethane
-Acetaldehyde
-Ethylene oxide
-Acetic acid
-Methyl formate
-Ethyl chloride
-Ethane
-Ethanol
-Dimethyl ether
-Ethylene glycol
-Dimethyl sulfide
-Ethyl mercaptan
-Ethylamine
-Acrylonitrile
-Methylacetylene
-Propadiene
-Propylene
-Acetone
-Ethyl formate
-Methyl acetate
-Propionic acid
-N,n-dimethylformamide
-Propane
-Isopropanol
-1-propanol
-Trimethylamine
-Vinylacetylene
-Thiophene
-Methacrylonitrile
-Dimethylacetylene
-Ethylacetylene
-1,2-butadiene
-1,3-butadiene
-1-butene
-Cis-2-butene
-Trans-2-butene
-Isobutene
-2-methylpropanal
-Methyl ethyl ketone
-Tetrahydrofuran
-1,4-dioxane
-N-butyric acid
-Ethyl acetate
-Methyl propionate
-N-propyl formate
-Sulfolane
-N,n-dimethylacetamide
-N-butane
-Isobutane
-1-butanol
-2-methyl-1-propanol
-2-butanol
-2-methyl-2-propanol
-Diethyl ether
-Diethylene glycol
-Diethylamine
-Furfural
-Pyridine
-Isoprene
-Cyclopentane
-2-methyl-1-butene
-3-methyl-1-butene
-2-methyl-2-butene
-1-pentene
-Cis-2-pentene
-Trans-2-pentene
-3-pentanone
-Methyl isopropyl ketone
-N-propyl acetate
-Isopentane
-N-pentane
-Neopentane
-1,2,4-trichlorobenzene
-M-dichlorobenzene
-O-dichlorobenzene
-P-dichlorobenzene
-Bromobenzene
-Monochlorobenzene
-Iodobenzene
-Nitrobenzene
-Benzene
-Phenol
-Aniline
-Cyclohexanone
-Cyclohexane
-1-hexene
-Methylcyclopentane
-Cyclohexanol
-2,2-dimethylbutane
-2,3-dimethylbutane
-N-hexane
-2-methylpentane
-3-methylpentane
-Triethylene glycol
-Triethylamine
-Toluene
-M-cresol
-O-cresol
-P-cresol
-Methylcyclohexane
-Ethylcyclopentane
-1-heptene
-N-heptane
-Styrene
-Ethylbenzene
-M-xylene
-O-xylene
-P-xylene
-Ethylcyclohexane
-N-propylcyclopentane
-N-octane
-2,2,3-trimethylpentane
-2,2,4-trimethylpentane
-2,3,3-trimethylpentane
-2,3,4-trimethylpentane
-Tetraethylene glycol
-Indene
-Indane
-Cumene
-N-propylbenzene
-N-propylcyclohexane
-N-nonane
-Naphthalene
-1-methylindene
-2-methylindene
-Dicyclopentadiene
-N-butylbenzene
-N-butylcyclohexane
-N-decane
-1-methylnaphthalene
-2-methylnaphthalene
-N-undecane
-Acenaphthene
-Biphenyl
-N-dodecane
-Fluorene
-N-tridecane
-Phenanthrene
-N-tetradecane
-N-pentadecane
-Fluoranthene
-Pyrene
-1-phenylnaphthalene
-N-hexadecane
-Chrysene
-Cis-decahydronaphthalene
-Trans-decahydronaphthalene
-Methyl tert-butyl ether
-Methyl tert-pentyl ether
-2-methyl-2-butanol
-Nitrogen trioxide
-Nitrogen tetroxide
-Helium-4
-Fluorine
-Krypton
-Xenon
-Ozone
-Carbonyl sulfide
-Sulfur hexafluoride
-Dimethyl sulfoxide
-N-heptadecane
-N-octadecane
-N-nonadecane
-N-heneicosane
-N-docosane
-N-tricosane
-N-tetracosane
-N-pentacosane
-N-hexacosane
-N-heptacosane
-N-octacosane
-N-nonacosane
-Squalane
-2-methylhexane
-3-methylhexane
-3-ethylpentane
-2,2-dimethylpentane
-2,3-dimethylpentane
-2,4-dimethylpentane
-3,3-dimethylpentane
-2,2,3-trimethylbutane
-2-methylheptane
-3-methylheptane
-4-methylheptane
-3-ethylhexane
-2,2-dimethylhexane
-2,3-dimethylhexane
-2,4-dimethylhexane
-2,5-dimethylhexane
-3,3-dimethylhexane
-3,4-dimethylhexane
-2-methyl-3-ethylpentane
-3-methyl-3-ethylpentane
-2,2,3,3-tetramethylbutane
-2,2,5-trimethylhexane
-2,4,4-trimethylhexane
-3,3-diethylpentane
-2,2,3,3-tetramethylpentane
-2,2,3,4-tetramethylpentane
-2,2,4,4-tetramethylpentane
-2,3,3,4-tetramethylpentane
-2-methyloctane
-3-methyloctane
-4-methyloctane
-3-ethylheptane
-2,2-dimethylheptane
-3,3,5-trimethylheptane
-2,2-dimethyloctane
-3-methylnonane
-2-methylnonane
-4-methylnonane
-5-methylnonane
-Cis-2-hexene
-Trans-2-hexene
-1-octene
-1-nonene
-1-undecene
-2-methyl-1-pentene
-4-methyl-cis-2-pentene
-4-methyl-trans-2-pentene
-Cyclohexene
-1,1-dimethylcyclopentane
-Cis-1,2-dimethylcyclopentane
-Trans-1,2-dimethylcyclopentane
-Cis-1,3-dimethylcyclopentane
-Trans-1,3-dimethylcyclopentane
-Isopropylcyclopentane
-1-methyl-1-ethylcyclopentane
-N-butylcyclopentane
-1,1-dimethylcyclohexane
-Cis-1,2-dimethylcyclohexane
-Trans-1,2-dimethylcyclohexane
-Cis-1,3-dimethylcyclohexane
-Trans-1,3-dimethylcyclohexane
-Cis-1,4-dimethylcyclohexane
-Trans-1,4-dimethylcyclohexane
-Tert-butylcyclohexane
-O-ethyltoluene
-M-ethyltoluene
-P-ethyltoluene
-1,2,3-trimethylbenzene
-1,2,4-trimethylbenzene
-Mesitylene
-Isobutylbenzene
-Sec-butylbenzene
-Tert-butylbenzene
-O-cymene
-M-cymene
-P-cymene
-O-diethylbenzene
-M-diethylbenzene
-P-diethylbenzene
-1,2,3,4-tetramethylbenzene
-1,2,3,5-tetramethylbenzene
-1,2,4,5-tetramethylbenzene
-2-ethyl-m-xylene
-2-ethyl-p-xylene
-4-ethyl-m-xylene
-4-ethyl-o-xylene
-1-methyl-3-n-propylbenzene
-1-methyl-4-n-propylbenzene
-P-diisopropylbenzene
-Methyl isobutyl ketone
-3-heptanone
-4-heptanone
-3-hexanone
-2-pentanone
-2-hexanone
-2-heptanone
-5-methyl-2-hexanone
-3,3-dimethyl-2-butanone
-Diisobutyl ketone
-Diisopropyl ketone
-Propanal
-Butanal
-Pentanal
-Hexanal
-Heptanal
-Diisopropyl ether
-Di-n-butyl ether
-Di-sec-butyl ether
-Methyl ethyl ether
-Methyl n-propyl ether
-Isopropyl butyl ether
-Methyl isobutyl ether
-Methyl isopropyl ether
-Tert-butyl ethyl ether
-Ethyl tert-pentyl ether
-Butyl vinyl ether
-Anisole
-Isopropyl acetate
-N-butyl acetate
-Isobutyl acetate
-N-pentyl acetate
-Vinyl acetate
-N-hexyl acetate
-1-pentanol
-2-pentanol
-2-methyl-1-butanol
-2,2-dimethyl-1-propanol
-1-hexanol
-1-heptanol
-1,4-butanediol
-Methyl mercaptan
-N-propyl mercaptan
-Tert-butyl mercaptan
-Isobutyl mercaptan
-Sec-butyl mercaptan
-N-hexyl mercaptan
-Methyl ethyl sulfide
-Methyl n-propyl sulfide
-Methyl t-butyl sulfide
-Methyl t-pentyl sulfide
-Di-n-propyl sulfide
-Diethyl sulfide
-Diethyl disulfide
-Dimethyl disulfide
-Di-n-propyl disulfide
-Di-tert-butyl disulfide
-Ethyl methyl disulfide
-Ethyl propyl disulfide
-Diphenyl disulfide
-Monoethanolamine
-Diethanolamine
-Triethanolamine
-Ethylenediamine
-Diisopropylamine
-N-aminoethyl piperazine
-Diethylenetriamine
-N-aminoethyl ethanolamine
-P-phenylenediamine
-Piperazine
-Methylethanolamine
-Dimethylethanolamine
-Nitromethane
-Nitroethane
-1-nitropropane
-2-nitropropane
-1-nitrobutane
-O-nitrotoluene
-P-nitrotoluene
-M-nitrotoluene
-2,4-dinitrotoluene
-2,6-dinitrotoluene
-3,4-dinitrotoluene
-2,5-dinitrotoluene
-3,5-dinitrotoluene
-2,4,6-trinitrotoluene
-Oxalic acid
-Acrylic acid
-Methacrylic acid
-Benzoic acid
-O-toluic acid
-P-toluic acid
-Salicylic acid
-Adipic acid
-Phthalic acid
-Maleic acid
-Terephthalic acid
-Acetic anhydride
-Maleic anhydride
-Ketene
-Methyl methacrylate
-Dimethyl terephthalate
-1,2-propylene oxide
-Cumene hydroperoxide
-Propionitrile
-Dimethyl carbonate
-DiEthyl Carbonate
-Methyl Ethyl Carbonate
-Methyl Phenyl Carbonate
-Ethyl Phenyl Carbonate
-DiPhenyl Carbonate
-Ethylene carbonate
-Propylene carbonate
-2-methyl-1-heptene
-2-Methoxy-2-Methyl-Heptane
-2-Methyl-2-Heptanol
-Methylal
-Methyl DiEthanolAmine
-Diethylethanolamine
-Diisopropanolamine
-Cyclobutane
-Isopropyl mercaptan
-Glycerol
-N-eicosane
-DiButyl Carbonate
diff --git a/compoundsDatabase.csv b/compoundsDatabase.csv
deleted file mode 100644
index 2c98f74..0000000
--- a/compoundsDatabase.csv
+++ /dev/null
@@ -1,432 +0,0 @@
-CAS,Name,Molecular Formulae,Molecular Weight
-132259-10-0,Air,(N2)0.781 (O2)0.209 (Ar)0.01,28.96
-7440-37-1,Argon,Ar,39.948
-7726-95-6,Bromine,BrBr,159.808
-56-23-5,Carbon tetrachloride,CCl4,153.8227
-630-08-0,Carbon monoxide,CO,28.0101
-124-38-9,Carbon dioxide,OCO,44.0095
-75-15-0,Carbon disulfide,SCS,76.1407
-75-44-5,Phosgene,COCl2,98.9161
-76-02-8,Trichloroacetyl chloride,CCl3COCl,181.8328
-7647-01-0,Hydrogen chloride,HCl,36.46094
-7782-50-5,Chlorine,Cl2,70.906
-10034-85-2,Hydrogen iodide,HI,127.9124
-1333-74-0,Hydrogen,H2,2.01588
-7732-18-5,Water,HOH,18.01528
-04-06-7783,Hydrogen sulfide,HSH,34.08088
-7664-41-7,Ammonia,NH3,17.03052
-09-01-7440,Neon,Ne,20.1797
-7697-37-2,Nitric acid,HNO3,63.01284
-10102-43-9,Nitric oxide,NO,30.0061
-10102-44-0,Nitrogen dioxide,ONO,46.0055
-7727-37-9,Nitrogen,N2,28.0134
-10024-97-2,Nitrous oxide,NON,44.0128
-7782-44-7,Oxygen,O2,31.9988
-05-09-7446,Sulfur dioxide,OSO,64.0638
-09-11-7446,Sulfur trioxide,SO3,80.0632
-67-66-3,Chloroform,CHCl3,119.3776
-74-90-8,Hydrogen cyanide,HCN,27.02534
-50-00-0,Formaldehyde,HCHO,30.02598
-74-87-3,Methyl chloride,CH3Cl,50.48752
-74-88-4,Methyl iodide,CH3I,141.939
-74-82-8,Methane,CH4,16.04246
-67-56-1,Methanol,CH3OH,32.04186
-74-89-5,Methylamine,CH3NH2,31.0571
-79-01-6,Trichloroethylene,CHClCCl2,131.3883
-79-36-7,Dichloroacetyl chloride,CHCl2COCl,147.3877
-75-87-6,Trichloroacetaldehyde,CCl3CHO,147.3877
-74-86-2,Acetylene,HCCH,26.03728
-79-02-7,Dichloroacetaldehyde,CHCl2CHO,112.9427
-75-01-4,Vinyl chloride,CH2CHCl,62.49822
-75-36-5,Acetyl chloride,CH3COCl,78.49762
-79-00-5,"1,1,2-trichloroethane",CHCl2CH2Cl,133.4042
-75-05-8,Acetonitrile,CH3CN,41.05192
-74-85-1,Ethylene,CH2CH2,28.05316
-75-34-3,"1,1-dichloroethane",CHCl2CH3,98.95916
-107-06-2,"1,2-dichloroethane",CH2ClCH2Cl,98.95916
-75-07-0,Acetaldehyde,CH3CHO,44.05256
-75-21-8,Ethylene oxide,CH2OCH2,44.05256
-64-19-7,Acetic acid,CH3COOH,60.05196
-107-31-3,Methyl formate,HCOOCH3,60.05196
-75-00-3,Ethyl chloride,CH3CH2Cl,64.5141
-74-84-0,Ethane,CH3CH3,30.06904
-64-17-5,Ethanol,CH3CH2OH,46.06844
-115-10-6,Dimethyl ether,CH3OCH3,46.06844
-107-21-1,Ethylene glycol,HOCH2CH2OH,62.06784
-75-18-3,Dimethyl sulfide,(CH3)2S,62.13404
-75-08-1,Ethyl mercaptan,CH3CH2SH,62.13404
-75-04-7,Ethylamine,CH3CH2NH2,45.08368
-107-13-1,Acrylonitrile,CH2CHCN,53.06262
-74-99-7,Methylacetylene,CH3CCH,40.06386
-463-49-0,Propadiene,CH2CCH2,40.06386
-115-07-1,Propylene,CH2CHCH3,42.07974
-67-64-1,Acetone,CH3COCH3,58.07914
-109-94-4,Ethyl formate,HCOOCH2CH3,74.07854
-79-20-9,Methyl acetate,CH3COOCH3,74.07854
-79-09-4,Propionic acid,CH3CH2COOH,74.07854
-68-12-2,"N,n-dimethylformamide",HCON(CH3)2,73.09378
-74-98-6,Propane,CH3CH2CH3,44.09562
-67-63-0,Isopropanol,CH3CH(OH)CH3,60.09502
-71-23-8,1-propanol,CH3(CH2)2OH,60.09502
-75-50-3,Trimethylamine,(CH3)3N,59.11026
-689-97-4,Vinylacetylene,CH2CHCCH,52.07456
-110-02-1,Thiophene,-S(CH)4-,84.13956
-126-98-7,Methacrylonitrile,CH2C(CH3)CN,67.0892
-503-17-3,Dimethylacetylene,CH3CCCH3,54.09044
-107-00-6,Ethylacetylene,CH3CH2CCH,54.09044
-590-19-2,"1,2-butadiene",CH2CCHCH3,54.09044
-106-99-0,"1,3-butadiene",CH2CHCHCH2,54.09044
-106-98-9,1-butene,CH2CHCH2CH3,56.10632
-590-18-1,Cis-2-butene,CH3CHCHCH3,56.10632
-624-64-6,Trans-2-butene,CH3CHCHCH3,56.10632
-115-11-7,Isobutene,CH2C(CH3)2,56.10632
-78-84-2,2-methylpropanal,CH3CH(CH3)CHO,72.10572
-78-93-3,Methyl ethyl ketone,CH3COCH2CH3,72.10572
-109-99-9,Tetrahydrofuran,-CH2CH2CH2CH2O-,72.10572
-123-91-1,"1,4-dioxane",-OCH2CH2OCH2CH2-,88.10513
-107-92-6,N-butyric acid,CH3CH2CH2COOH,88.10513
-141-78-6,Ethyl acetate,CH3COOC2H5,88.10513
-554-12-1,Methyl propionate,CH3CH2COOCH3,88.10513
-110-74-7,N-propyl formate,HCOOCH2CH2CH3,88.10513
-126-33-0,Sulfolane,-(CH2)2SO2(CH2)2-,120.1701
-127-19-5,"N,n-dimethylacetamide",(CH3)2NCOCH3,87.12036
-106-97-8,N-butane,CH3(CH2)2CH3,58.1222
-75-28-5,Isobutane,CH3CH(CH3)CH3,58.1222
-71-36-3,1-butanol,CH3(CH2)3OH,74.1216
-78-83-1,2-methyl-1-propanol,(CH3)2CHCH2OH,74.1216
-78-92-2,2-butanol,CH3CH2CH(OH)CH3,74.1216
-75-65-0,2-methyl-2-propanol,C(CH3)3OH,74.1216
-60-29-7,Diethyl ether,CH3CH2OCH2CH3,74.1216
-111-46-6,Diethylene glycol,HOCH2CH2OCH2CH2OH,106.1204
-109-89-7,Diethylamine,C2H5NHC2H5,73.13684
-98-01-1,Furfural,(OC4H3)CHO,96.08406
-110-86-1,Pyridine,-CHCHCHCHCHN-,79.0999
-78-79-5,Isoprene,CH2C(CH3)CHCH2,68.11702
-287-92-3,Cyclopentane,-(CH2)5-,70.1329
-563-46-2,2-methyl-1-butene,CH2C(CH3)CH2CH3,70.1329
-563-45-1,3-methyl-1-butene,CH2CHCH(CH3)CH3,70.1329
-513-35-9,2-methyl-2-butene,CH3CHC(CH3)CH3,70.1329
-109-67-1,1-pentene,CH2CH(CH2)2CH3,70.1329
-627-20-3,Cis-2-pentene,CH3CHCHCH2CH3,70.1329
-646-04-8,Trans-2-pentene,CH3CHCHCH2CH3,70.1329
-96-22-0,3-pentanone,CH3CH2COCH2CH3,86.1323
-563-80-4,Methyl isopropyl ketone,CH3CH(CH3)COCH3,86.1323
-109-60-4,N-propyl acetate,CH3COO(CH2)2CH3,102.1317
-78-78-4,Isopentane,CH3CH(CH3)CH2CH3,72.14878
-109-66-0,N-pentane,CH3(CH2)3CH3,72.14878
-463-82-1,Neopentane,C(CH3)4,72.14878
-120-82-1,"1,2,4-trichlorobenzene",(C6H3)Cl3,181.447
-541-73-1,M-dichlorobenzene,(C6H4)Cl2,147.002
-95-50-1,O-dichlorobenzene,(C6H4)Cl2,147.002
-106-46-7,P-dichlorobenzene,(C6H4)Cl2,147.002
-108-86-1,Bromobenzene,(C6H5)Br,157.0079
-108-90-7,Monochlorobenzene,C6H5Cl,112.5569
-591-50-4,Iodobenzene,C6H5I,204.0084
-98-95-3,Nitrobenzene,C6H5NO2,123.1094
-71-43-2,Benzene,-CHCHCHCHCHCH-,78.11184
-108-95-2,Phenol,(C6H5)OH,94.11124
-62-53-3,Aniline,C6H5NH2,93.12648
-108-94-1,Cyclohexanone,-CH2CO(CH2)3CH2-,98.143
-110-82-7,Cyclohexane,-(CH2)6-,84.15948
-592-41-6,1-hexene,CH2CH(CH2)3CH3,84.15948
-96-37-7,Methylcyclopentane,(C5H9)CH3,84.15948
-108-93-0,Cyclohexanol,-CH(OH)(CH2)4CH2-,100.1589
-75-83-2,"2,2-dimethylbutane",CH3CH2C(CH3)3,86.17536
-79-29-8,"2,3-dimethylbutane",(CH3)2CHCH(CH3)2,86.17536
-110-54-3,N-hexane,CH3(CH2)4CH3,86.17536
-107-83-5,2-methylpentane,CH3CH2CH2CH(CH3)2,86.17536
-96-14-0,3-methylpentane,CH3CH2CH(CH3)CH2CH3,86.17536
-112-27-6,Triethylene glycol,HOCH2CH2OCH2CH2OCH2CH2OH,150.173
-121-44-8,Triethylamine,(C2H5)3N,101.19
-108-88-3,Toluene,(C6H5)CH3,92.13843
-108-39-4,M-cresol,CH3(C6H4)OH,108.1378
-95-48-7,O-cresol,CH3(C6H4)OH,108.1378
-106-44-5,P-cresol,CH3(C6H4)OH,108.1378
-108-87-2,Methylcyclohexane,(C6H11)CH3,98.18607
-1640-89-7,Ethylcyclopentane,(C5H9)CH2CH3,98.18607
-592-76-7,1-heptene,CH2CH(CH2)4CH3,98.18607
-142-82-5,N-heptane,CH3(CH2)5CH3,100.202
-100-42-5,Styrene,(C6H5)CHCH2,104.149
-100-41-4,Ethylbenzene,(C6H5)CH2CH3,106.165
-108-38-3,M-xylene,CH3(C6H4)CH3,106.165
-95-47-6,O-xylene,CH3(C6H4)CH3,106.165
-106-42-3,P-xylene,CH3(C6H4)CH3,106.165
-1678-91-7,Ethylcyclohexane,(C6H11)CH2CH3,112.2126
-2040-96-2,N-propylcyclopentane,(C5H9)CH2CH2CH3,112.2126
-111-65-9,N-octane,CH3(CH2)6CH3,114.2285
-564-02-3,"2,2,3-trimethylpentane",CH3C(CH3)2CH(CH3)CH2CH3,114.2285
-540-84-1,"2,2,4-trimethylpentane",(CH3)3CCH2CH(CH3)2,114.2285
-560-21-4,"2,3,3-trimethylpentane",CH3CH(CH3)C(CH3)2CH2CH3,114.2285
-565-75-3,"2,3,4-trimethylpentane",CH3CH(CH3)CH(CH3)CH(CH3)CH3,114.2285
-112-60-7,Tetraethylene glycol,HOCH2(CH2OCH2)3CH2OH,194.2255
-95-13-6,Indene,C6H4(CH2CHCH),116.1598
-496-11-7,Indane,C6H4(CH2)3,118.1757
-98-82-8,Cumene,(C6H5)CH(CH3)2,120.1916
-103-65-1,N-propylbenzene,(C6H5)CH2CH2CH3,120.1916
-1678-92-8,N-propylcyclohexane,(C6H11)CH2CH2CH3,126.2392
-111-84-2,N-nonane,CH3(CH2)7CH3,128.2551
-91-20-3,Naphthalene,(C6H4)(C4H4),128.1705
-767-59-9,1-methylindene,CH3(C9H7),130.1864
-2177-47-1,2-methylindene,CH3(C9H7),130.1864
-77-73-6,Dicyclopentadiene,C10H12,132.2023
-104-51-8,N-butylbenzene,(C6H5)(CH2)3CH3,134.2182
-1678-93-9,N-butylcyclohexane,(C6H11)CH2CH2CH2CH3,140.2658
-124-18-5,N-decane,CH3(CH2)8CH3,142.2817
-90-12-0,1-methylnaphthalene,(C6H4)(C4H3)CH3,142.1971
-91-57-6,2-methylnaphthalene,(C6H4)(C4H3)CH3,142.1971
-1120-21-4,N-undecane,CH3(CH2)9CH3,156.3083
-83-32-9,Acenaphthene,C12H10,154.2078
-92-52-4,Biphenyl,(C6H5)2,154.2078
-112-40-3,N-dodecane,CH3(CH2)10CH3,170.3348
-86-73-7,Fluorene,(C6H4)CH2(C6H4),166.2185
-629-50-5,N-tridecane,CH3(CH2)11CH3,184.3614
-85-01-8,Phenanthrene,C14H10,178.2292
-629-59-4,N-tetradecane,CH3(CH2)12CH3,198.388
-629-62-9,N-pentadecane,CH3(CH2)13CH3,212.4146
-206-44-0,Fluoranthene,C16H10,202.2506
-129-00-0,Pyrene,C16H10,202.2506
-605-02-7,1-phenylnaphthalene,(C6H4)(C4H3)(C6H5),204.2665
-544-76-3,N-hexadecane,CH3(CH2)14CH3,226.4412
-218-01-9,Chrysene,C18H12,228.2879
-493-01-6,Cis-decahydronaphthalene,(CH2)4CHCH(CH2)4,138.2499
-493-02-7,Trans-decahydronaphthalene,(CH2)4CHCH(CH2)4,138.2499
-1634-04-4,Methyl tert-butyl ether,CH3OC(CH3)3,88.14818
-994-05-8,Methyl tert-pentyl ether,CH3OC(CH3)2CH2CH3,102.1748
-75-85-4,2-methyl-2-butanol,CH3CH2C(CH3)(OH)CH3,88.14818
-10544-73-7,Nitrogen trioxide,O2NNO,76.0116
-10544-72-6,Nitrogen tetroxide,O2NNO2,92.011
-7440-59-7,Helium-4,He,4.002602
-7782-41-4,Fluorine,F2,37.9968
-7439-90-9,Krypton,Kr,83.798
-7440-63-3,Xenon,Xe,131.293
-10028-15-6,Ozone,O3,47.9982
-463-58-1,Carbonyl sulfide,OCS,60.0751
-2551-62-4,Sulfur hexafluoride,SF6,146.0554
-67-68-5,Dimethyl sulfoxide,CH3SOCH3,78.13344
-629-78-7,N-heptadecane,CH3(CH2)15CH3,240.4677
-593-45-3,N-octadecane,CH3(CH2)16CH3,254.4943
-629-92-5,N-nonadecane,CH3(CH2)17CH3,268.5209
-629-94-7,N-heneicosane,CH3(CH2)19CH3,296.5741
-629-97-0,N-docosane,CH3(CH2)20CH3,310.6006
-638-67-5,N-tricosane,CH3(CH2)21CH3,324.6272
-646-31-1,N-tetracosane,CH3(CH2)22CH3,338.6538
-629-99-2,N-pentacosane,CH3(CH2)23CH3,352.6804
-630-01-3,N-hexacosane,CH3(CH2)24CH3,366.707
-593-49-7,N-heptacosane,CH3(CH2)25CH3,380.7336
-630-02-4,N-octacosane,CH3(CH2)26CH3,394.7601
-630-03-5,N-nonacosane,CH3(CH2)27CH3,408.7867
-111-01-3,Squalane,((CH3)2CH(C3H6CH(CH3))2C2H4)2,422.8133
-591-76-4,2-methylhexane,CH3CH(CH3)(CH2)3CH3,100.202
-589-34-4,3-methylhexane,CH3CH2CH(CH3)CH2CH2CH3,100.202
-617-78-7,3-ethylpentane,CH3CH2CH(CH2CH3)CH2CH3,100.202
-590-35-2,"2,2-dimethylpentane",CH3C(CH3)2CH2CH2CH3,100.202
-565-59-3,"2,3-dimethylpentane",CH3CH2CH(CH3)CH(CH3)2,100.202
-108-08-7,"2,4-dimethylpentane",(CH3)2CHCH2CH(CH3)2,100.202
-562-49-2,"3,3-dimethylpentane",CH3CH2C(CH3)2CH2CH3,100.202
-464-06-2,"2,2,3-trimethylbutane",(CH3)3CCH(CH3)2,100.202
-592-27-8,2-methylheptane,(CH3)2CH(CH2)4CH3,114.2285
-589-81-1,3-methylheptane,CH3CH2CH(CH3)(CH2)3CH3,114.2285
-589-53-7,4-methylheptane,CH3(CH2)2CH(CH3)(CH2)2CH3,114.2285
-619-99-8,3-ethylhexane,CH3CH2CH(C2H5)CH2CH2CH3,114.2285
-590-73-8,"2,2-dimethylhexane",CH3C(CH3)2CH2CH2CH2CH3,114.2285
-584-94-1,"2,3-dimethylhexane",CH3CH(CH3)CH(CH3)CH2CH2CH3,114.2285
-589-43-5,"2,4-dimethylhexane",CH3CH(CH3)CH2CH(CH3)CH2CH3,114.2285
-592-13-2,"2,5-dimethylhexane",CH3CH(CH3)CH2CH2CH(CH3)CH3,114.2285
-563-16-6,"3,3-dimethylhexane",CH3CH2C(CH3)2CH2CH2CH3,114.2285
-583-48-2,"3,4-dimethylhexane",CH3CH2CH(CH3)CH(CH3)CH2CH3,114.2285
-609-26-7,2-methyl-3-ethylpentane,CH3CH(CH3)CH(CH2CH3)CH2CH3,114.2285
-1067-08-9,3-methyl-3-ethylpentane,CH3CH2C(CH3)(CH2CH3)CH2CH3,114.2285
-594-82-1,"2,2,3,3-tetramethylbutane",(CH3)3CC(CH3)3,114.2285
-3522-94-9,"2,2,5-trimethylhexane",CH3C(CH3)2CH2CH2CH(CH3)2,128.2551
-16747-30-1,"2,4,4-trimethylhexane",CH3CH2C(CH3)2CH2CH(CH3)2,128.2551
-1067-20-5,"3,3-diethylpentane",CH3CH2C(C2H5)2CH2CH3,128.2551
-7154-79-2,"2,2,3,3-tetramethylpentane",CH3C(CH3)2C(CH3)2CH2CH3,128.2551
-1186-53-4,"2,2,3,4-tetramethylpentane",CH3C(CH3)2CH(CH3)CH(CH3)CH3,128.2551
-1070-87-7,"2,2,4,4-tetramethylpentane",CH3C(CH3)2CH2C(CH3)2CH3,128.2551
-16747-38-9,"2,3,3,4-tetramethylpentane",(CH3)2CHC(CH3)2CH(CH3)2,128.2551
-3221-61-2,2-methyloctane,(CH3)2CH(CH2)5CH3,128.2551
-2216-33-3,3-methyloctane,CH3CH2CH(CH3)(CH2)4CH3,128.2551
-2216-34-4,4-methyloctane,CH3(CH2)2CHCH3(CH2)3CH3,128.2551
-15869-80-4,3-ethylheptane,CH3CH2CH(C2H5)CH2(CH2)2CH3,128.2551
-1071-26-7,"2,2-dimethylheptane",CH3C(CH3)2(CH2)4CH3,128.2551
-7154-80-5,"3,3,5-trimethylheptane",CH3CH2C(CH3)2CH2CH(CH3)CH2CH3,142.2817
-15869-87-1,"2,2-dimethyloctane",CH3C(CH3)2(CH2)5CH3,142.2817
-06-04-5911,3-methylnonane,CH3CH2CH(CH3)(CH2)5CH3,142.2817
-871-83-0,2-methylnonane,(CH3)2CH(CH2)6CH3,142.2817
-17301-94-9,4-methylnonane,CH3(CH2)2CH(CH3)(CH2)4CH3,142.2817
-15869-85-9,5-methylnonane,CH3(CH2)3CH(CH3)(CH2)3CH3,142.2817
-7688-21-3,Cis-2-hexene,CH3CHCH(CH2)2CH3,84.15948
-4050-45-7,Trans-2-hexene,CH3CHCH(CH2)2CH3,84.15948
-111-66-0,1-octene,CH2CH(CH2)5CH3,112.2126
-124-11-8,1-nonene,CH2CH(CH2)6CH3,126.2392
-821-95-4,1-undecene,CH3(CH2)8CHCH2,154.2924
-763-29-1,2-methyl-1-pentene,CH2C(CH3)CH2CH2CH3,84.15948
-691-38-3,4-methyl-cis-2-pentene,CH3CHCHCH(CH3)2,84.15948
-674-76-0,4-methyl-trans-2-pentene,CH3CHCHCH(CH3)2,84.15948
-110-83-8,Cyclohexene,-CH2CHCHCH2CH2CH2-,82.1436
-1638-26-2,"1,1-dimethylcyclopentane",-CH2C(CH3)2CH2CH2CH2-,98.18607
-1192-18-3,"Cis-1,2-dimethylcyclopentane",-CH(CH3)CH(CH3)(CH2)3-,98.18607
-822-50-4,"Trans-1,2-dimethylcyclopentane",-CH(CH3)CH(CH3)(CH2)3-,98.18607
-2532-58-3,"Cis-1,3-dimethylcyclopentane",-CH2CH(CH3)CH2CH(CH3)CH2-,98.18607
-1759-58-6,"Trans-1,3-dimethylcyclopentane",-CH2CH(CH3)CH2CH(CH3)CH2-,98.18607
-3875-51-2,Isopropylcyclopentane,(C5H9)CH(CH3)2,112.2126
-16747-50-5,1-methyl-1-ethylcyclopentane,-C(CH3)(C2H5)CH2CH2CH2CH2-,112.2126
-2040-95-1,N-butylcyclopentane,(C5H9)CH2CH2CH2CH3,126.2392
-590-66-9,"1,1-dimethylcyclohexane",-C(CH3)2(CH2)5-,112.2126
-04-01-2207,"Cis-1,2-dimethylcyclohexane",-CH(CH3)CH(CH3)(CH2)4-,112.2126
-6876-23-9,"Trans-1,2-dimethylcyclohexane",-CH(CH3)CH(CH3)(CH2)4-,112.2126
-638-04-0,"Cis-1,3-dimethylcyclohexane",-CH(CH3)CH2CH(CH3)(CH2)3-,112.2126
-06-03-2207,"Trans-1,3-dimethylcyclohexane",-CH(CH3)CH2CH(CH3)(CH2)3-,112.2126
-624-29-3,"Cis-1,4-dimethylcyclohexane",-CH(CH3)CH2CH2CH(CH3)(CH2)2-,112.2126
-07-04-2207,"Trans-1,4-dimethylcyclohexane",-CH(CH3)CH2CH2CH(CH3)(CH2)2-,112.2126
-3178-22-1,Tert-butylcyclohexane,C6H11C(CH3)3,140.2658
-611-14-3,O-ethyltoluene,CH3(C6H4)CH2CH3,120.1916
-620-14-4,M-ethyltoluene,CH3(C6H4)CH2CH3,120.1916
-622-96-8,P-ethyltoluene,CH3(C6H4)CH2CH3,120.1916
-526-73-8,"1,2,3-trimethylbenzene",(C6H3)(CH3)3,120.1916
-95-63-6,"1,2,4-trimethylbenzene",(C6H3)(CH3)3,120.1916
-108-67-8,Mesitylene,(C6H3)(CH3)3,120.1916
-538-93-2,Isobutylbenzene,(C6H5)CH2CH(CH3)2,134.2182
-135-98-8,Sec-butylbenzene,(C6H5)CH(CH3)CH2CH3,134.2182
-98-06-6,Tert-butylbenzene,(C6H5)C(CH3)2CH3,134.2182
-527-84-4,O-cymene,CH3(C6H4)CH(CH3)2,134.2182
-535-77-3,M-cymene,CH3(C6H4)CH(CH3)2,134.2182
-99-87-6,P-cymene,CH3(C6H4)CH(CH3)2,134.2182
-135-01-3,O-diethylbenzene,CH3CH2(C6H4)CH2CH3,134.2182
-141-93-5,M-diethylbenzene,CH3CH2(C6H4)CH2CH3,134.2182
-105-05-5,P-diethylbenzene,CH3CH2(C6H4)CH2CH3,134.2182
-488-23-3,"1,2,3,4-tetramethylbenzene",(C6H2)(CH3)4,134.2182
-527-53-7,"1,2,3,5-tetramethylbenzene",(C6H2)(CH3)4,134.2182
-95-93-2,"1,2,4,5-tetramethylbenzene",(C6H2)(CH3)4,134.2182
-04-04-2870,2-ethyl-m-xylene,CH3CH2(C6H3)(CH3)2,134.2182
-1758-88-9,2-ethyl-p-xylene,CH3CH2(C6H3)(CH3)2,134.2182
-874-41-9,4-ethyl-m-xylene,CH3CH2(C6H3)(CH3)2,134.2182
-934-80-5,4-ethyl-o-xylene,CH3CH2(C6H3)(CH3)2,134.2182
-1074-43-7,1-methyl-3-n-propylbenzene,CH3(C6H4)CH2CH2CH3,134.2182
-1074-55-1,1-methyl-4-n-propylbenzene,CH3(C6H4)CH2CH2CH3,134.2182
-100-18-5,P-diisopropylbenzene,(CH3)2CH(C6H4)CH(CH3)2,162.2713
-108-10-1,Methyl isobutyl ketone,CH3COCH2CH(CH3)2,100.1589
-106-35-4,3-heptanone,CH3(CH2)3COC2H5,114.1855
-123-19-3,4-heptanone,(CH3CH2CH2)2CO,114.1855
-589-38-8,3-hexanone,CH3CH2CH2COCH2CH3,100.1589
-107-87-9,2-pentanone,CH3CO(CH2)2CH3,86.1323
-591-78-6,2-hexanone,CH3COCH2CH2CH2CH3,100.1589
-110-43-0,2-heptanone,CH3CO(CH2)4CH3,114.1855
-110-12-3,5-methyl-2-hexanone,CH3CO(CH2)2CH(CH3)2,114.1855
-75-97-8,"3,3-dimethyl-2-butanone",(CH3)3CCOCH3,100.1589
-108-83-8,Diisobutyl ketone,(CH3)2CHCH2COCH2CH(CH3)2,142.2386
-565-80-0,Diisopropyl ketone,(CH3)2CHCOCH(CH3)2,114.1855
-123-38-6,Propanal,CH3CH2CHO,58.07914
-123-72-8,Butanal,CH3CH2CH2CHO,72.10572
-110-62-3,Pentanal,CH3(CH2)3CHO,86.1323
-66-25-1,Hexanal,CH3(CH2)4CHO,100.1589
-111-71-7,Heptanal,CH3(CH2)5CHO,114.1855
-108-20-3,Diisopropyl ether,CH3CH(CH3)OCH(CH3)CH3,102.1748
-142-96-1,Di-n-butyl ether,(C4H9)2O,130.2279
-6863-58-7,Di-sec-butyl ether,C2H5(CH3)CHOCH(CH3)C2H5,130.2279
-540-67-0,Methyl ethyl ether,CH3CH2OCH3,60.09502
-557-17-5,Methyl n-propyl ether,CH3OCH2CH2CH3,74.1216
-1860-27-1,Isopropyl butyl ether,C4H9OCH(CH3)2,116.2013
-625-44-5,Methyl isobutyl ether,CH3OCH2CH(CH3)CH3,88.14818
-598-53-8,Methyl isopropyl ether,CH3OCH(CH3)2,74.1216
-637-92-3,Tert-butyl ethyl ether,(CH3)3COCH2CH3,102.1748
-919-94-8,Ethyl tert-pentyl ether,C2H5C(CH3)2OC2H5,116.2013
-111-34-2,Butyl vinyl ether,C4H9OCHCH2,100.1589
-100-66-3,Anisole,C6H5OCH3,108.1378
-108-21-4,Isopropyl acetate,CH3COOCH(CH3)2,102.1317
-123-86-4,N-butyl acetate,CH3COO(CH2)3CH3,116.1583
-110-19-0,Isobutyl acetate,CH3COOCH2CH(CH3)2,116.1583
-628-63-7,N-pentyl acetate,CH3COOCH2(CH2)3CH3,130.1849
-108-05-4,Vinyl acetate,CH3COOCHCH2,86.08924
-142-92-7,N-hexyl acetate,CH3COOCH2(CH2)4CH3,144.2114
-71-41-0,1-pentanol,CH3(CH2)4OH,88.14818
-6032-29-7,2-pentanol,CH3(CH2)2CH(OH)CH3,88.14818
-137-32-6,2-methyl-1-butanol,CH3CH2CH(CH3)CH2OH,88.14818
-75-84-3,"2,2-dimethyl-1-propanol",(CH3)3CCH2OH,88.14818
-111-27-3,1-hexanol,CH3(CH2)5OH,102.1748
-111-70-6,1-heptanol,CH3(CH2)6OH,116.2013
-110-63-4,"1,4-butanediol",HO(CH2)4OH,90.121
-74-93-1,Methyl mercaptan,CH3SH,48.10746
-107-03-9,N-propyl mercaptan,CH3CH2CH2SH,76.16061
-75-66-1,Tert-butyl mercaptan,C(CH3)3SH,90.18719
-513-44-0,Isobutyl mercaptan,(CH3)2CHCH2SH,90.18719
-513-53-1,Sec-butyl mercaptan,CH3CH2CH(SH)CH3,90.18719
-111-31-9,N-hexyl mercaptan,CH3(CH2)5SH,118.2404
-624-89-5,Methyl ethyl sulfide,CH3SC2H5,76.16061
-3877-15-4,Methyl n-propyl sulfide,CH3SCH2CH2CH3,90.18719
-6163-64-0,Methyl t-butyl sulfide,CH3SC(CH3)3,104.2138
-13286-92-5,Methyl t-pentyl sulfide,CH3SC(CH3)(CH3)C2H5,118.2404
-111-47-7,Di-n-propyl sulfide,CH3CH2CH2SCH2CH2CH3,118.2404
-352-93-2,Diethyl sulfide,CH3CH2SCH2CH3,90.18719
-110-81-6,Diethyl disulfide,C2H5SSC2H5,122.2522
-624-92-0,Dimethyl disulfide,CH3SSCH3,94.19904
-629-19-6,Di-n-propyl disulfide,CH3CH2CH2SSCH2CH2CH3,150.3054
-110-06-5,Di-tert-butyl disulfide,(CH3)3CS2C(CH3)3,178.3585
-20333-39-5,Ethyl methyl disulfide,CH3CH2SSCH3,108.2256
-30453-31-7,Ethyl propyl disulfide,CH3(CH2)2SSCH2CH3,136.2788
-882-33-7,Diphenyl disulfide,(C6H5)SS(C6H5),218.3378
-141-43-5,Monoethanolamine,HOCH2CH2NH2,61.08308
-111-42-2,Diethanolamine,(HOCH2CH2)2NH,105.1356
-102-71-6,Triethanolamine,(HOCH2CH2)3N,149.1882
-107-15-3,Ethylenediamine,H2NCH2CH2NH2,60.09832
-108-18-9,Diisopropylamine,((CH3)2CH)2NH,101.19
-140-31-8,N-aminoethyl piperazine,H2NC2H4(NCH2CH2NHCH2CH2),129.2034
-111-40-0,Diethylenetriamine,(H2NCH2CH2)2NH,103.1661
-111-41-1,N-aminoethyl ethanolamine,H2NCH2CH2NHCH2CH2OH,104.1509
-106-50-3,P-phenylenediamine,(C6H4)(NH2)2,108.1411
-110-85-0,Piperazine,-NHCH2CH2NHCH2CH2-,86.1356
-109-83-1,Methylethanolamine,CH3NHCH2CH2OH,75.10966
-108-01-0,Dimethylethanolamine,HOCH2CH2N(CH3)2,89.13624
-75-52-5,Nitromethane,CH3NO2,61.04002
-79-24-3,Nitroethane,CH3CH2NO2,75.0666
-108-03-2,1-nitropropane,CH3CH2CH2NO2,89.09318
-79-46-9,2-nitropropane,CH3CH(NO2)CH3,89.09318
-627-05-4,1-nitrobutane,CH3(CH2)3NO2,103.1198
-88-72-2,O-nitrotoluene,C6H4(NO2)(CH3),137.136
-99-99-0,P-nitrotoluene,C6H4(NO2)(CH3),137.136
-99-08-1,M-nitrotoluene,C6H4(NO2)(CH3),137.136
-121-14-2,"2,4-dinitrotoluene",CH3(C6H3)(NO2)2,182.1335
-606-20-2,"2,6-dinitrotoluene",CH3(C6H3)(NO2)2,182.1335
-610-39-9,"3,4-dinitrotoluene",CH3(C6H3)(NO2)2,182.1335
-619-15-8,"2,5-dinitrotoluene",CH3(C6H3)(NO2)2,182.1335
-618-85-9,"3,5-dinitrotoluene",CH3(C6H3)(NO2)2,182.1335
-118-96-7,"2,4,6-trinitrotoluene",(CH3)C6H2(NO2)3,227.1311
-144-62-7,Oxalic acid,HOOCCOOH,90.03488
-79-10-7,Acrylic acid,CH2CHCOOH,72.06266
-79-41-4,Methacrylic acid,CH2C(CH3)COOH,86.08924
-65-85-0,Benzoic acid,(C6H5)COOH,122.1213
-118-90-1,O-toluic acid,CH3(C6H4)COOH,136.1479
-99-94-5,P-toluic acid,CH3(C6H4)COOH,136.1479
-69-72-7,Salicylic acid,HO(C6H4)COOH,138.1207
-124-04-9,Adipic acid,HOOC(CH2)4COOH,146.1412
-88-99-3,Phthalic acid,COOH(C6H4)COOH,166.1308
-110-16-7,Maleic acid,HOOCCHCHCOOH,116.0722
-100-21-0,Terephthalic acid,COOH(C6H4)COOH,166.1308
-108-24-7,Acetic anhydride,CH3COOOCCH3,102.0886
-108-31-6,Maleic anhydride,-CHCOOCOCH-,98.05688
-463-51-4,Ketene,CH2CO,42.03668
-80-62-6,Methyl methacrylate,CH2C(CH3)COOCH3,100.1158
-120-61-6,Dimethyl terephthalate,C6H4(COOCH3)2,194.184
-75-56-9,"1,2-propylene oxide",CH3-CHCH2O-,58.07804
-80-15-9,Cumene hydroperoxide,(C6H5)C(CH3)2OOH,152.1904
-107-12-0,Propionitrile,CH3CH2CN,55.0785
-616-38-6,Dimethyl carbonate,(CH3O)2CO,90.07794
-105-58-8,DiEthyl Carbonate,CH3CH2(OCOO)CH2CH3,118.1311
-623-53-0,Methyl Ethyl Carbonate,CH3(OCOO)CH2CH3,104.1045
-13509-27-8,Methyl Phenyl Carbonate,CH3(OCOO)C6H5,152.1473
-3878-46-4,Ethyl Phenyl Carbonate,CH3CH2(OCOO)C6H5,166.1739
-102-09-0,DiPhenyl Carbonate,(C6H5)2(OCOO),214.2167
-96-49-1,Ethylene carbonate,-CH2OCOOCH2-,88.06207
-108-32-7,Propylene carbonate,-OCH(CH3)CH2OCO-,102.0886
-15870-10-7,2-methyl-1-heptene,CH2C(CH3)CH2(CH2)3CH3,112.2126
-76589-16-7,2-Methoxy-2-Methyl-Heptane,(CH3O)(CH3)2 C(CH2)4 CH3,144.2545
-625-25-2,2-Methyl-2-Heptanol,(CH3)2(OH)C(CH2)4CH3,130.2279
-109-87-5,Methylal,CH3OCH2OCH3,76.09442
-105-59-9,Methyl DiEthanolAmine,CH3N(CH2CH2OH)2,119.1622
-100-37-8,Diethylethanolamine,HOCH2CH2N(CH2CH3)2,117.1894
-110-97-4,Diisopropanolamine,CH3CH(OH)CH2NHCH2CH(OH)CH3,133.1888
-287-23-0,Cyclobutane,-(CH2)4-,56.10632
-75-33-2,Isopropyl mercaptan,(CH3)2CHSH,76.16061
-56-81-5,Glycerol,HOCH2CH(OH)CH2OH,92.09382
-112-95-8,N-eicosane,CH3(CH2)18CH3,282.5475
-542-52-9,DiButyl Carbonate,CH3CH2CH2CH2(OCOO)CH2CH2CH2CH3,174.2374
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